data_2m3w_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 2m3w _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.831 0.348 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.821 0.343 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 42' ' ' SER . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 86' ' ' ASN . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' A' ' 83' ' ' VAL . 78.9 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' B' ' 42' ' ' SER . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' B' ' 86' ' ' ASN . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' B' ' 83' ' ' VAL . 79.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 41.9 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' GLN . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 HG22 ' B' ' 12' ' ' ILE . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.733 0.302 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.6 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 41.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 72' ' ' GLN . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 80' ' ' ALA . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 29' ' ' SER . 3.3 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.747 0.308 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 43' ' ' GLY . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.753 0.311 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' B' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.439 ' O ' ' CD2' ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' B' ' 43' ' ' GLY . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.781 0.324 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.496 ' HZ2' ' CB ' ' B' ' 49' ' ' LYS . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.424 ' N ' HD21 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 11.0 m120 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.816 0.341 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' B' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.708 0.289 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 11.0 m120 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.784 0.326 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 42' ' ' SER . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 40' ' ' GLU . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.46 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.537 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.537 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.718 0.294 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.46 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.464 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 1.9 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.42 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.838 0.352 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.4 HG21 HD12 ' B' ' 12' ' ' ILE . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.412 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 1.9 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 12' ' ' ILE . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' O ' ' OG ' ' A' ' 42' ' ' SER . 6.4 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.406 HD12 HG21 ' B' ' 12' ' ' ILE . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.446 ' O ' ' OG ' ' B' ' 42' ' ' SER . 6.4 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' B' ' 82' ' ' THR . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HZ2' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.515 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' HZ2' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.737 0.303 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.644 ' HZ2' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.571 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.571 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' HZ2' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.3 m-80 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.564 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.513 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.564 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.774 0.321 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' B' ' 61' ' ' LEU . 1.3 m-80 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.507 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 57.6 mp0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.57 ' CD ' ' HG1' ' A' ' 39' ' ' THR . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.57 ' HG1' ' CD ' ' A' ' 35' ' ' GLU . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 57.6 mp0 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.572 ' CD ' ' HG1' ' B' ' 39' ' ' THR . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.572 ' HG1' ' CD ' ' B' ' 35' ' ' GLU . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.44 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.312 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.791 0.329 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 6.6 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 42' ' ' SER . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 m120 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.865 0.364 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.47 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 6.6 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' B' ' 42' ' ' SER . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.711 0.291 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.754 0.311 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.73 0.3 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.789 0.328 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 12' ' ' ILE . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 79.0 m-70 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.817 0.342 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.699 ' HZ1' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 1.7 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.499 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' THR . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' C ' ' H ' ' A' ' 47' ' ' ALA . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.507 ' C ' ' HZ1' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.699 ' N ' ' HZ1' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD12 HG23 ' B' ' 12' ' ' ILE . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.852 0.358 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.699 ' HZ1' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 1.7 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.501 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' B' ' 39' ' ' THR . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' B' ' 47' ' ' ALA . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.506 ' C ' ' HZ1' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.699 ' N ' ' HZ1' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.539 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.539 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.787 0.327 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.2 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 ' CG2' ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' ND2' ' CG2' ' A' ' 82' ' ' THR . 82.8 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.757 0.313 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.3 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' GLN . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.756 0.312 . . . . 0.0 110.204 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 75' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 72' ' ' GLN . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.415 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 12' ' ' ILE . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HZ1' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.53 ' C ' ' HZ1' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.425 HG23 HD12 ' B' ' 12' ' ' ILE . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' B' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HZ1' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.535 ' C ' ' HZ1' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.471 ' O ' ' OG1' ' B' ' 82' ' ' THR . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.73 0.3 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.481 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.524 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 80' ' ' ALA . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.47 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.423 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.823 0.344 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 18.5 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.41 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.41 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.5 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 12' ' ' ILE . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.311 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.486 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.321 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 12' ' ' ILE . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.547 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.487 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.527 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.418 ' O ' ' OG1' ' B' ' 82' ' ' THR . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -147.31 -3.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.774 0.321 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.13 -30.51 71.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -58.79 -31.81 68.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.87 -118.02 0.58 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 52.06 -101.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.71 0.29 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.83 145.39 42.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 179.45 46.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.24 137.82 47.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 76.2 tttt -81.91 66.67 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 25' ' ' LYS . 84.9 m-85 -152.92 -32.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.668 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.43 160.25 42.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.21 149.09 23.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 42' ' ' SER . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 86' ' ' ASN . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' A' ' 83' ' ' VAL . 78.9 m-20 -93.4 126.35 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -74.96 0.5 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -117.45 -9.86 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -94.84 3.14 55.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -52.63 143.24 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 54.5 p30 -144.37 -9.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.634 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 71.4 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -147.28 -3.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.1 -30.52 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -58.92 -31.71 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.86 -118.0 0.58 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 51.99 -101.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.77 145.37 42.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.26 179.44 46.88 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.2 137.8 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 110.576 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' B' ' 26' ' ' TYR . 76.1 tttt -81.98 66.74 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' B' ' 25' ' ' LYS . 84.6 m-85 -152.98 -32.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.45 160.33 42.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.3 149.05 24.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' B' ' 42' ' ' SER . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' B' ' 86' ' ' ASN . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' B' ' 83' ' ' VAL . 79.0 m-20 -93.42 126.37 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -99.67 8.79 44.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -75.04 0.64 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.47 -9.75 10.79 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -94.89 3.17 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -52.71 143.31 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' B' ' 92' ' ' ASN . 54.5 p30 -144.42 -9.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 71.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.623 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -69.39 -13.98 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.88 -30.61 46.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p -60.36 -24.03 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.97 153.38 24.35 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.16 -41.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.73 -65.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 -90.62 0.22 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.66 149.53 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -155.41 -16.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -102.03 6.24 40.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -172.79 -175.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.66 118.95 29.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.327 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.639 ' HZ2' ' ND2' ' A' ' 87' ' ' ASN . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 41.9 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' GLN . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -87.0 125.69 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.639 ' ND2' ' HZ2' ' A' ' 49' ' ' LYS . 8.4 m-20 -92.13 -4.67 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.578 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.63 -45.0 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.72 -24.16 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -87.5 137.48 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -116.07 132.18 56.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -63.39 -37.07 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.564 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -69.25 -14.06 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.735 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.86 -30.69 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.434 HD13 HG22 ' B' ' 12' ' ' ILE . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p -60.33 -23.94 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.01 153.38 24.35 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.18 -41.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.79 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.548 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.51 -90.72 0.21 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -57.66 149.42 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -155.33 -16.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -102.11 6.29 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.602 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -172.84 -175.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.715 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tt -122.6 118.96 29.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.6 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.657 ' HZ2' ' ND2' ' B' ' 87' ' ' ASN . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 41.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 72' ' ' GLN . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 80' ' ' ALA . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.427 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -86.97 125.68 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.657 ' ND2' ' HZ2' ' B' ' 49' ' ' LYS . 8.4 m-20 -92.08 -4.72 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.67 -44.96 94.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.61 -24.3 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -87.53 137.41 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -115.97 132.25 56.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -63.49 -36.99 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.577 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -67.47 130.8 44.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.18 -29.25 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t -50.31 -32.87 18.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.24 93.81 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -61.27 -32.64 72.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -38.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.35 -164.64 7.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.24 129.96 43.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 94.0 mttt -88.5 4.33 47.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.06 -47.26 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.13 -171.22 1.83 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 29' ' ' SER . 3.3 tt -142.78 118.03 10.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 43' ' ' GLY . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.63 102.71 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 6.9 p30 -86.07 93.58 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -164.89 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -96.03 5.62 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.556 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 31.1 m95 -80.51 157.9 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -133.98 174.58 10.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.88 -34.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.61 130.82 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.26 -29.1 64.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t -50.26 -32.89 17.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.19 93.95 0.09 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.32 -32.67 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -37.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.554 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.38 -164.75 7.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.19 129.97 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' O ' ' OG ' ' B' ' 19' ' ' SER . 94.0 mttt -88.42 4.18 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -81.98 -47.28 12.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.15 -171.19 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' B' ' 29' ' ' SER . 3.2 tt -142.75 118.02 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' O ' ' CD2' ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' B' ' 43' ' ' GLY . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.58 102.76 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 7.0 p30 -86.14 93.55 9.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.591 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -164.89 -26.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.12 5.58 50.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.554 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 31.1 m95 -80.52 157.92 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -134.04 174.53 10.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.91 -34.73 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.567 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -95.93 135.09 38.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.4 -20.65 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t -56.0 -32.43 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.46 122.64 7.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -151.51 50.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 52.81 57.31 6.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.36 -47.28 0.72 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -78.63 144.87 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.321 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -162.03 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 84.1 t80 -140.65 2.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 174.98 10.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.92 114.33 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.08 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 89' ' ' PHE . 40.6 t-20 -94.06 -134.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' H ' ' CG ' ' A' ' 87' ' ' ASN . 44.7 t80 61.81 -69.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 87' ' ' ASN . 39.2 m-85 -48.54 -35.17 12.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.434 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 92.1 m95 -80.56 114.32 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.45 94.78 6.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.47 -37.27 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.537 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.87 135.08 38.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.47 -20.62 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.395 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t -55.96 -32.52 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 122.6 7.06 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -151.46 50.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 52.88 57.3 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.24 0.72 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -78.55 144.95 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -162.18 -14.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.56 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.1 t80 -140.67 3.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 175.12 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.06 114.32 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.496 ' HZ2' ' CB ' ' B' ' 49' ' ' LYS . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.435 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.424 ' N ' HD21 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.13 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' B' ' 89' ' ' PHE . 40.6 t-20 -93.98 -134.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.474 ' H ' ' CG ' ' B' ' 87' ' ' ASN . 44.8 t80 61.71 -69.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' B' ' 87' ' ' ASN . 39.0 m-85 -48.65 -35.12 13.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.608 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.435 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 92.2 m95 -80.53 114.33 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.53 94.85 6.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.48 -37.22 70.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.56 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -144.59 17.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.29 -27.71 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m -55.4 -32.07 62.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.67 109.4 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.24 -46.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' OE2' ' OE1' ' A' ' 32' ' ' GLN . 22.6 pt-20 -144.05 135.52 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.501 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.62 -78.2 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' GLU . 81.0 m-20 -76.9 140.49 40.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.92 -22.71 13.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.87 -14.36 0.63 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.74 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 5.8 ttpm? -89.84 134.79 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.528 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -108.53 115.23 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.329 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' OE1' ' OE2' ' A' ' 22' ' ' GLU . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 11.0 m120 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -81.78 161.41 23.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -133.24 -3.02 3.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -64.37 -45.78 86.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.15 -37.47 83.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -65.14 -45.85 83.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -165.03 152.08 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.47 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.1 OUTLIER -91.22 7.71 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.469 ' N ' HD21 ' A' ' 92' ' ' ASN . 2.1 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.557 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -144.62 17.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.508 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.411 ' ND1' ' O ' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m -55.44 -32.06 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.62 109.35 0.56 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.29 -46.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' OE2' ' OE1' ' B' ' 32' ' ' GLN . 22.6 pt-20 -144.04 135.55 25.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.59 -78.29 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' B' ' 22' ' ' GLU . 80.9 m-20 -76.81 140.34 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.93 -22.64 13.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -143.86 -14.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' B' ' 27' ' ' LYS . 5.8 ttpm? -89.74 134.81 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -108.48 115.17 29.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.333 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.476 ' OE1' ' OE2' ' B' ' 22' ' ' GLU . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 11.0 m120 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -81.76 161.43 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -133.09 -3.15 3.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.35 -45.73 86.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -67.17 -37.52 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -65.09 -45.96 83.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -164.97 152.01 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.485 HD21 ' N ' ' B' ' 93' ' ' SER . 0.1 OUTLIER -91.2 7.76 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.485 ' N ' HD21 ' B' ' 92' ' ' ASN . 2.2 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.22 143.0 33.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.614 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.95 -34.98 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -53.94 -33.93 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.35 -25.86 35.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.25 168.31 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.08 -121.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.55 1.79 0.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.05 28.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -45.48 -24.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.12 -34.2 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -146.65 -169.28 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.72 116.54 14.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 42' ' ' SER . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 40' ' ' GLU . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.46 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.537 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.537 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.86 134.1 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.55 -2.3 26.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.88 -44.82 84.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.88 -6.6 42.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLU . 50.0 m95 -91.61 -86.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.605 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.3 mt-10 37.16 89.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.418 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 92' ' ' ASN . 2.4 m120 -50.97 -41.77 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.636 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.605 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -141.25 143.01 33.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.97 -34.97 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -54.07 -33.84 58.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -25.94 35.1 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.15 168.31 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.04 -121.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.54 1.77 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.02 28.79 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' CB ' ' NZ ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -45.4 -24.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.11 -34.21 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -146.74 -169.28 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tt -135.67 116.55 14.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.464 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.542 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.542 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.93 134.12 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.47 -2.38 26.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.84 -44.83 84.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -71.93 -6.64 43.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' B' ' 91' ' ' GLU . 50.3 m95 -91.56 -86.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.3 mt-10 37.09 89.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' N ' HD21 ' B' ' 92' ' ' ASN . 2.4 m120 -50.93 -41.79 59.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.613 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -71.85 -14.44 61.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.761 0.315 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.17 -31.06 65.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -54.81 -32.82 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.33 162.03 35.15 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -150.74 -84.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.78 -172.96 44.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 57.61 45.24 19.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 11.4 ttmm -76.4 66.01 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 49.3 m-85 -160.36 -10.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -172.68 -173.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.06 149.92 52.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HZ1' HE22 ' A' ' 38' ' ' GLN . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 1.9 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.42 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -94.39 118.75 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -96.45 -1.59 47.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.04 -43.02 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -63.79 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -69.22 96.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.28 147.31 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 10.1 p-10 -154.67 36.17 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.557 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.542 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -71.7 -14.56 62.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.698 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.15 -31.05 64.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.4 HG21 HD12 ' B' ' 12' ' ' ILE . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -54.66 -32.9 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.32 161.97 35.09 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -150.76 -83.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.76 -172.9 44.64 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 57.52 45.27 19.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 11.3 ttmm -76.39 65.85 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 49.5 m-85 -160.22 -10.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -172.68 -173.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.08 149.86 52.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.412 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 1.9 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 80' ' ' ALA . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -94.51 118.76 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -96.39 -1.63 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.661 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.99 -43.03 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.9 -31.72 73.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -69.41 96.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.3 147.35 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 10.1 p-10 -154.73 36.24 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.544 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 1' ' ' GLY . 46.3 t 44.42 99.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.09 -28.59 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 12' ' ' ILE . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p -59.31 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.66 90.59 1.66 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -103.16 -140.21 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -68.16 -104.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.9 m-20 -65.46 68.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' LYS . 49.0 pttt 35.15 27.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 70.4 t80 35.03 28.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 25' ' ' LYS . 96.3 mttt 43.58 -171.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.365 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.5 107.96 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' O ' ' OG ' ' A' ' 42' ' ' SER . 6.4 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -64.41 146.47 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.38 53.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.4 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -60.28 -31.14 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -66.48 157.76 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.07 -122.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -144.75 0.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.606 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 1' ' ' GLY . 46.3 t 44.34 99.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.593 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.14 -28.54 69.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.406 HG21 HD12 ' B' ' 12' ' ' ILE . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p -59.37 -46.18 89.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.63 90.58 1.66 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -103.11 -140.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -68.18 -104.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 26' ' ' TYR . 82.0 m-20 -65.63 68.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' B' ' 27' ' ' LYS . 49.0 pttt 35.06 27.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 70.6 t80 35.07 28.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' B' ' 25' ' ' LYS . 96.2 mttt 43.68 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.279 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.52 107.84 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.446 ' O ' ' OG ' ' B' ' 42' ' ' SER . 6.4 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.486 ' O ' ' OG1' ' B' ' 82' ' ' THR . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -64.5 146.36 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.29 53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.38 -46.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -60.22 -31.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -66.43 157.71 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.1 -122.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -144.76 0.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.562 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -63.37 155.28 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.35 -29.24 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p -58.04 -29.41 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.12 -157.74 32.4 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 61.0 -154.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.576 ' C ' ' H ' ' A' ' 24' ' ' ASP . 13.7 pt-20 -63.21 -11.21 19.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -66.52 11.07 0.6 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' A' ' 22' ' ' GLU . 87.3 m-20 51.83 101.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.3 -19.71 5.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -65.35 -38.0 88.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.7 pttm -167.23 -165.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt -136.98 112.91 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.211 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HZ2' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.515 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' HZ2' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.423 ' CG ' ' H ' ' A' ' 87' ' ' ASN . 24.3 t-20 -71.8 172.58 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' H ' ' CG ' ' A' ' 86' ' ' ASN . 47.0 t-20 -141.85 -5.6 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 61.6 t80 -76.9 -49.16 16.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -54.89 -43.15 72.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.76 -29.89 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 55.48 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.676 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -63.5 155.22 29.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.21 -29.33 69.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p -58.08 -29.44 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.02 -157.82 32.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 60.9 -154.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' B' ' 24' ' ' ASP . 13.8 pt-20 -63.15 -11.2 18.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -66.53 11.03 0.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.56 ' H ' ' C ' ' B' ' 22' ' ' GLU . 87.6 m-20 51.81 101.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.528 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.37 -19.59 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -65.4 -38.0 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.6 pttm -167.3 -165.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt -136.98 112.95 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.155 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.644 ' HZ2' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.571 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.571 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' HZ2' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.426 ' CG ' ' H ' ' B' ' 87' ' ' ASN . 24.3 t-20 -71.77 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.426 ' H ' ' CG ' ' B' ' 86' ' ' ASN . 47.0 t-20 -141.93 -5.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.641 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 61.7 t80 -77.0 -49.2 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -54.81 -43.16 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.602 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.89 -29.82 69.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.561 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 55.46 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.91 -35.45 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.567 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.35 17.56 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.487 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -49.83 -24.68 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.561 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t -57.97 -30.67 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -50.17 -107.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 47.3 mttp 57.45 160.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.888 0.375 . . . . 0.0 110.641 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.86 148.27 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.568 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 94.93 -171.56 30.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 26' ' ' TYR . 49.5 m-20 -67.89 70.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' LYS . 39.0 mmtm 51.58 13.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 87.4 t80 41.86 17.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' LYS . 38.9 mttm 46.55 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.68 107.97 6.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.189 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' LEU . 1.3 m-80 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.564 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 -83.91 150.31 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 44.2 t30 -134.71 77.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 91.4 m-85 -160.64 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -77.85 -5.64 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -63.17 136.27 57.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -102.34 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.584 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -70.1 59.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.418 ' H ' ' HG ' ' A' ' 93' ' ' SER . 11.5 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.39 17.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -49.81 -24.51 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.513 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.564 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.571 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t -57.98 -30.6 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -50.17 -107.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 47.4 mttp 57.47 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.688 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -64.86 148.24 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.86 -171.48 30.19 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' B' ' 26' ' ' TYR . 49.4 m-20 -67.9 70.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.627 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 27' ' ' LYS . 39.0 mmtm 51.52 13.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 87.5 t80 41.87 17.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 25' ' ' LYS . 39.1 mttm 46.61 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.67 107.9 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' B' ' 61' ' ' LEU . 1.3 m-80 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.507 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 -83.94 150.36 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 44.2 t30 -134.75 77.23 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' B' ' 87' ' ' ASN . 91.2 m-85 -160.7 -38.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 1.2 m-85 -77.88 -5.57 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -63.11 136.2 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.27 -179.6 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -69.99 59.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' B' ' 93' ' ' SER . 11.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -62.81 -13.49 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 57.6 mp0 -51.45 -28.97 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 44.3 p -63.86 -30.19 71.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 79.29 1.07 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -153.61 -56.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.02 -54.43 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.69 7.1 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.7 m-20 -139.91 121.75 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.66 28.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 27' ' ' LYS . 42.6 p90 -146.76 -32.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 15.4 ttpp -93.42 142.2 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.637 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -137.97 120.04 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.57 ' CD ' ' HG1' ' A' ' 39' ' ' THR . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.57 ' HG1' ' CD ' ' A' ' 35' ' ' GLU . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -68.17 125.32 26.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.693 HD21 ' N ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -98.14 -10.28 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.693 ' N ' HD21 ' A' ' 87' ' ' ASN . 63.7 t80 -63.25 -39.17 93.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -62.69 -42.99 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -62.71 85.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.554 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.96 37.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . 83.9 m-20 -81.57 3.3 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -62.77 -13.48 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 57.6 mp0 -51.49 -28.88 14.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 44.2 p -63.89 -30.16 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.32 79.23 1.07 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -153.49 -56.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.0 -54.36 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.64 7.03 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 61.9 m-20 -139.9 121.73 15.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.477 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.7 28.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 27' ' ' LYS . 42.4 p90 -146.79 -32.59 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 15.4 ttpp -93.43 142.21 27.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 tt -137.93 120.01 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.369 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.572 ' CD ' ' HG1' ' B' ' 39' ' ' THR . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.572 ' HG1' ' CD ' ' B' ' 35' ' ' GLU . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.44 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -68.18 125.25 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.705 HD21 ' N ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -98.08 -10.22 24.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.705 ' N ' HD21 ' B' ' 87' ' ' ASN . 63.8 t80 -63.32 -39.08 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -62.74 -43.05 99.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -62.71 85.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -139.03 37.81 2.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 93' ' ' SER . 83.9 m-20 -81.54 3.24 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' B' ' 92' ' ' ASN . 1.2 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -96.21 132.26 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.49 -28.14 68.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -53.69 -29.37 38.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -73.91 -116.49 0.08 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.72 -96.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' GLY . 50.6 tt0 -142.03 125.44 16.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.23 -157.0 27.35 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.68 -4.91 59.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.44 27.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -160.62 -37.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.37 176.98 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.92 110.05 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 6.6 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 42' ' ' SER . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -71.98 160.65 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -137.02 -1.03 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -64.56 -40.41 95.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.55 -38.18 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 91' ' ' GLU . 55.4 m95 -60.71 -36.04 77.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.781 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.4 mt-10 -35.12 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.622 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.58 44.83 28.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -96.19 132.32 41.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.56 -28.1 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.511 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m -53.63 -29.42 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.87 -116.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.52 -96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 110.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -142.03 125.45 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.2 -157.12 27.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.53 -4.87 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.38 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -160.59 -37.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.33 176.83 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.77 110.06 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.47 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 6.6 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' B' ' 42' ' ' SER . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.446 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -71.97 160.59 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -136.91 -1.11 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.44 -40.41 95.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -68.52 -38.26 80.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' B' ' 91' ' ' GLU . 55.3 m95 -60.69 -36.01 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.4 mt-10 -35.21 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.54 44.81 28.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.518 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -80.9 157.28 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.04 -35.24 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.68 165.64 20.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.23 83.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 55.88 43.99 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.44 -115.06 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.8 p30 -82.64 71.66 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.685 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.2 2.22 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -64.85 -43.99 91.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -166.96 177.14 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.715 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp -104.34 130.46 52.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -98.0 105.7 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -88.73 80.87 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -148.6 -29.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -85.45 4.04 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.0 121.55 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -116.65 -93.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.578 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -153.53 -16.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.567 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.754 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -80.96 157.21 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.89 -35.24 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p -59.73 -22.73 62.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.69 165.68 20.17 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.26 82.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 55.9 43.96 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.45 -115.05 0.42 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' O ' ' OD1' ' B' ' 24' ' ' ASP . 47.5 p30 -82.72 71.78 9.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.32 2.21 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -64.85 -43.96 91.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.655 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -166.97 177.2 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.733 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp -104.3 130.49 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.97 105.6 17.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -88.66 80.94 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -148.62 -29.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -85.42 4.04 37.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -67.97 121.62 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.604 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -116.75 -93.37 0.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -153.45 -16.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.614 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -145.86 152.18 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.73 -32.92 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD12 HG23 ' A' ' 12' ' ' ILE . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 79.0 m-70 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.66 -25.1 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.25 -29.6 7.44 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.52 -47.79 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.0 -26.1 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.54 67.96 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.1 m-20 -97.51 57.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.478 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.6 77.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 16.0 t80 -175.15 -32.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.27 -169.54 3.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.95 116.05 8.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.699 ' HZ1' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 1.7 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.499 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' THR . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' C ' ' H ' ' A' ' 47' ' ' ALA . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.507 ' C ' ' HZ1' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.699 ' N ' ' HZ1' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.91 143.92 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -114.14 -18.32 11.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.01 -42.9 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -68.27 -16.35 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -89.75 -92.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 40.48 44.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -84.28 80.18 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.532 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -145.83 152.15 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.69 -33.0 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD12 HG23 ' B' ' 12' ' ' ILE . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -25.06 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.32 -29.7 7.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.4 -47.77 82.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.05 -26.1 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.92 -9.4 68.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' B' ' 26' ' ' TYR . 81.1 m-20 -97.5 57.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.473 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.59 77.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.581 ' N ' ' O ' ' B' ' 24' ' ' ASP . 15.8 t80 -175.23 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.3 -169.56 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.96 116.09 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.354 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.699 ' HZ1' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 1.7 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.501 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' B' ' 39' ' ' THR . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' B' ' 47' ' ' ALA . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.506 ' C ' ' HZ1' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.699 ' N ' ' HZ1' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.539 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.539 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.99 143.9 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -114.08 -18.29 11.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -57.96 -42.96 86.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -68.28 -16.4 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -89.73 -92.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 40.53 44.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -84.4 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.07 155.71 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -64.64 -31.63 72.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.46 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.13 -98.29 1.35 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.15 169.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.595 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.68 97.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.41 -141.58 7.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.19 120.31 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.16 45.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.36 1.8 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.23 169.66 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.11 122.98 43.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.288 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.2 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 ' CG2' ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' ND2' ' CG2' ' A' ' 82' ' ' THR . 82.8 m-20 -85.18 122.95 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -94.93 0.88 55.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -62.49 -47.23 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -61.97 -30.53 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -82.05 -173.25 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 46.68 90.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -76.96 -0.36 24.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.577 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.05 155.68 40.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -64.59 -31.59 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.47 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.08 -98.23 1.34 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.06 169.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 97.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.49 -141.57 7.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -82.16 120.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -97.15 45.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.35 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 169.6 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 122.89 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.3 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.22 123.03 30.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.94 0.84 55.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -62.55 -47.16 85.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -82.01 -173.3 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.515 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 46.75 89.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -76.89 -0.39 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.58 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -110.8 146.12 36.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.29 -27.99 69.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -62.79 -25.71 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.18 148.31 17.42 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.79 -59.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.609 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -149.0 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.56 -122.11 2.46 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.93 149.58 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.33 -25.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 t80 -76.77 -8.43 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.31 -178.1 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.719 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 72' ' ' GLN . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 t-20 -62.56 168.27 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 92.2 m-20 -141.57 52.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.49 -30.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -73.45 -21.23 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -95.02 151.13 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -139.43 146.96 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.07 -36.87 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 93' ' ' SER . 57.2 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.562 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -110.91 146.02 37.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.24 -28.04 69.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -62.61 -25.78 68.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.15 148.39 17.63 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.81 -59.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -149.0 -40.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.55 -122.07 2.45 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -57.94 149.48 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.583 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.28 -25.09 0.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' B' ' 26' ' ' TYR . 64.8 t80 -76.9 -8.27 57.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.36 -178.13 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.04 116.35 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.204 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 75' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' B' ' 72' ' ' GLN . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.415 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 6.1 t-20 -62.65 168.3 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 91.6 m-20 -141.48 52.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.48 -30.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -73.53 -21.18 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -139.44 146.98 40.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.1 -36.84 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.543 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.93 9.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.33 -28.62 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 12' ' ' ILE . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.54 109.19 0.25 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.26 -16.27 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -169.28 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.09 -116.98 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.5 159.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -128.86 13.28 6.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.436 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 29.8 p90 -174.46 35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.41 147.88 40.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -133.62 105.85 7.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HZ1' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.53 ' C ' ' HZ1' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' O ' ' OG1' ' A' ' 82' ' ' THR . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.65 127.01 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.71 -2.08 57.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.4 141.61 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.61 133.91 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -56.02 -26.06 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.605 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -143.95 9.27 1.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.42 -28.6 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.425 HG23 HD12 ' B' ' 12' ' ' ILE . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.28 -32.39 69.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.55 109.08 0.25 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.22 -16.23 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.681 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -169.27 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.11 -116.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -49.54 159.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -128.79 13.19 6.35 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 29.9 p90 -174.41 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.45 148.04 40.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -133.75 105.8 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.312 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.535 ' HZ1' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.535 ' C ' ' HZ1' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.471 ' O ' ' OG1' ' B' ' 82' ' ' THR . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.53 126.95 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.73 -1.97 57.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.33 -40.89 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.97 -44.0 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.67 133.93 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.01 -26.14 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.599 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.448 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -79.16 18.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.524 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 1' ' ' GLY . 49.8 mt-10 -55.81 -33.83 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -56.48 -36.66 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.21 -139.29 10.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt 58.45 -164.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.741 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.59 153.48 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.39 -172.97 40.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.567 ' CB ' ' HZ2' ' A' ' 27' ' ' LYS . 11.2 m-20 -74.18 113.89 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -78.11 -14.51 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -63.22 -36.82 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HZ2' ' CB ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -162.41 170.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.43 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tt -93.23 112.95 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.37 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.481 ' O ' ' OG1' ' A' ' 82' ' ' THR . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -68.91 121.78 17.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.11 -8.94 24.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.94 -47.51 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.42 -40.17 77.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.454 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 76.0 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.36 14.17 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' SER . 25.6 t30 50.97 34.48 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 92' ' ' ASN . 35.9 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.714 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.46 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -79.31 18.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 1' ' ' GLY . 49.7 mt-10 -55.72 -33.91 64.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -56.5 -36.67 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.16 -139.33 10.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.37 -164.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.758 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -172.96 40.17 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.566 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 11.3 m-20 -74.14 113.82 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.305 . . . . 0.0 110.58 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -78.01 -14.61 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -63.18 -36.79 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.566 ' HZ2' ' CB ' ' B' ' 24' ' ' ASP . 0.0 OUTLIER -162.46 170.54 18.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tt -93.16 112.98 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.524 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 80' ' ' ALA . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.47 ' O ' ' OG1' ' B' ' 82' ' ' THR . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -68.87 121.64 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.01 -8.86 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -62.95 -47.53 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.32 -40.23 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 76.1 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.33 14.22 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' B' ' 93' ' ' SER . 25.6 t30 50.86 34.53 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.625 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 92' ' ' ASN . 35.7 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.719 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -61.0 -7.39 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.592 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.97 -35.05 70.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 -144.94 17.83 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 22' ' ' GLU . 7.4 mtmp? 61.44 51.07 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.741 0.305 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 21' ' ' LYS . 74.8 tt0 56.55 151.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.56 66.95 0.94 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.42 86.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -81.85 41.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -136.45 -39.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.89 -179.53 8.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.44 142.87 39.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 18.5 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 87' ' ' ASN . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.81 177.42 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 27.2 m-80 -147.01 -9.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.583 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.88 -40.63 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -55.15 -36.6 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 64.7 m95 -69.1 116.53 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.15 150.0 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.554 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 93' ' ' SER . 63.2 t-20 -57.87 -37.7 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 92' ' ' ASN . 41.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -60.95 -7.44 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.9 -35.16 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.41 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -62.97 -42.99 99.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.47 -144.94 17.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 7.4 mtmp? 61.47 51.09 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' LYS . 74.7 tt0 56.58 151.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 66.88 0.94 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.41 86.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -81.88 41.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -136.45 -39.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.92 -179.61 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.37 142.83 39.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.157 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.5 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.514 ' NZ ' ' OD1' ' B' ' 87' ' ' ASN . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.446 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.85 177.37 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.514 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 27.4 m-80 -146.93 -9.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.74 -40.63 88.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -55.07 -36.65 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.446 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 64.9 m95 -69.18 116.6 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.1 150.0 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 93' ' ' SER . 63.1 t-20 -57.89 -37.59 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 92' ' ' ASN . 41.1 t . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 151.06 43.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 54.6 mp0 -63.6 -27.58 69.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 12' ' ' ILE . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t -52.52 -26.37 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.43 154.92 26.27 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.57 -57.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.64 -79.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.17 69.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 38.3 p30 -73.7 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 46.5 tttm 69.98 46.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -143.93 159.0 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -104.25 118.93 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.486 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.419 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 78' ' ' VAL . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.92 104.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 25.9 p-10 -79.4 -8.93 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.53 -42.8 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.27 -33.78 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -80.24 116.57 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.77 129.2 41.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.55 -33.21 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.95 151.09 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.6 mp0 -63.61 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.405 HD11 HG21 ' B' ' 12' ' ' ILE . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t -52.47 -26.39 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.4 154.89 26.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.48 -58.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.61 -79.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.588 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.13 -33.17 69.26 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.9 p30 -73.72 -116.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.576 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 46.5 tttm 70.03 46.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -161.63 -47.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -144.01 158.98 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 tt -104.19 118.96 37.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.263 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.547 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.487 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.527 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.418 ' O ' ' OG1' ' B' ' 82' ' ' THR . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 78' ' ' VAL . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -65.01 103.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.44 -8.88 59.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.54 -42.78 97.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.469 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.26 -33.82 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.25 116.59 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -94.83 129.15 41.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.5 -33.22 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.515 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.533 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.831 0.348 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD23 ' A' ' 28' ' ' LEU . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.431 ' CG ' HD13 ' A' ' 36' ' ' LEU . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 15' ' ' PHE . 1.1 mm? . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.821 0.343 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 69' ' ' VAL . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.3 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.601 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' B' ' 75' ' ' VAL . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' B' ' 76' ' ' VAL . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.53 HG22 ' ND2' ' A' ' 86' ' ' ASN . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' ALA . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.53 ' ND2' HG22 ' A' ' 82' ' ' THR . 78.9 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.601 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' B' ' 28' ' ' LEU . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.434 ' CG ' HD13 ' B' ' 36' ' ' LEU . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 15' ' ' PHE . 1.1 mm? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.526 HD22 HG21 ' B' ' 69' ' ' VAL . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.521 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.3 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.596 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 75' ' ' VAL . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' A' ' 76' ' ' VAL . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.542 HG22 ' ND2' ' B' ' 86' ' ' ASN . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 79' ' ' ALA . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' B' ' 82' ' ' THR . 79.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.547 ' N ' HD23 ' A' ' 28' ' ' LEU . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 35.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 53' ' ' ALA . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 50.8 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' B' ' 76' ' ' VAL . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD1' HD21 ' A' ' 33' ' ' LEU . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 79' ' ' ALA . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 29' ' ' SER . 2.4 tt . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.733 0.302 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.545 ' N ' HD23 ' B' ' 28' ' ' LEU . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.615 HD22 HG21 ' B' ' 69' ' ' VAL . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 35.5 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' ALA . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.615 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 50.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 79' ' ' ALA . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 76' ' ' VAL . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' B' ' 33' ' ' LEU . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' SER . 3.3 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.747 0.308 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 36' ' ' LEU . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.7 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' B' ' 75' ' ' VAL . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 76' ' ' VAL . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.753 0.311 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.589 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 16.7 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' A' ' 75' ' ' VAL . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 76' ' ' VAL . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OH ' ' B' ' 74' ' ' TYR . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' N ' HG13 ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' HD13 ' A' ' 36' ' ' LEU . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.781 0.324 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 28' ' ' LEU . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 77' ' ' LEU . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' OH ' HD22 ' B' ' 4' ' ' LEU . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 76' ' ' VAL . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' ALA . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.562 HD22 ' OH ' ' A' ' 74' ' ' TYR . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CG ' HD13 ' B' ' 36' ' ' LEU . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.527 ' N ' HD13 ' B' ' 28' ' ' LEU . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' B' ' 77' ' ' LEU . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.441 ' N ' HD22 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.565 ' OH ' HD22 ' A' ' 4' ' ' LEU . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 79' ' ' ALA . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 76' ' ' VAL . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' B' ' 11' ' ' LEU . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' B' ' 4' ' ' LEU . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CG ' HD13 ' A' ' 36' ' ' LEU . 62.2 m80 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 28' ' ' LEU . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' OE1' HG21 ' A' ' 54' ' ' VAL . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' OE1' ' A' ' 48' ' ' GLN . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 79.7 m-20 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 76' ' ' VAL . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 79' ' ' ALA . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.816 0.341 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.502 ' CD1' HD23 ' A' ' 11' ' ' LEU . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 4' ' ' LEU . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.411 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CG ' HD13 ' B' ' 36' ' ' LEU . 62.0 m80 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.587 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.708 0.289 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.587 ' N ' HD13 ' B' ' 28' ' ' LEU . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.451 HD22 HG21 ' B' ' 69' ' ' VAL . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' B' ' 18' ' ' HIS . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' B' ' 54' ' ' VAL . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG21 ' OE1' ' B' ' 48' ' ' GLN . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 79.7 m-20 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.451 HG21 HD22 ' B' ' 33' ' ' LEU . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 76' ' ' VAL . 18.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 76' ' ' VAL . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.581 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' ALA . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.607 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.784 0.326 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.584 ' N ' HD23 ' A' ' 28' ' ' LEU . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 77' ' ' LEU . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 39' ' ' THR . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.611 ' OH ' HD11 ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' B' ' 79' ' ' ALA . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' HD21 ' A' ' 33' ' ' LEU . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.718 0.294 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.611 HD11 ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.581 ' N ' HD23 ' B' ' 28' ' ' LEU . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' B' ' 77' ' ' LEU . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' B' ' 39' ' ' THR . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.408 ' O ' HG23 ' B' ' 76' ' ' VAL . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.607 ' OH ' HD11 ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 79' ' ' ALA . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' B' ' 33' ' ' LEU . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.721 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.646 HD11 ' OH ' ' B' ' 74' ' ' TYR . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' A' ' 30' ' ' LYS . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 69' ' ' VAL . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 11.1 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 33' ' ' LEU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.654 ' OH ' HD11 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' B' ' 76' ' ' VAL . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.838 0.352 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.654 HD11 ' OH ' ' A' ' 74' ' ' TYR . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' B' ' 30' ' ' LYS . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.584 HD22 HG21 ' B' ' 69' ' ' VAL . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 11.0 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.43 ' H ' HG23 ' B' ' 54' ' ' VAL . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.584 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.646 ' OH ' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.677 HG11 ' HB2' ' A' ' 79' ' ' ALA . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' B' ' 33' ' ' LEU . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' B' ' 11' ' ' LEU . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 4' ' ' LEU . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 69' ' ' VAL . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 HE22 HG23 ' A' ' 51' ' ' VAL . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 HE22 ' A' ' 48' ' ' GLN . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 33' ' ' LEU . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 86' ' ' ASN . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ALA . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 82' ' ' THR . 53.7 m-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 11' ' ' LEU . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 4' ' ' LEU . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.61 HD22 HG21 ' B' ' 69' ' ' VAL . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.409 HE22 HG23 ' B' ' 51' ' ' VAL . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.409 HG23 HE22 ' B' ' 48' ' ' GLN . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.61 HG21 HD22 ' B' ' 33' ' ' LEU . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.419 HG22 ' ND2' ' B' ' 86' ' ' ASN . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 79' ' ' ALA . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' B' ' 82' ' ' THR . 53.9 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' A' ' 36' ' ' LEU . 51.0 m80 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 29' ' ' SER . 1.6 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.538 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 76' ' ' VAL . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' ALA . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.737 0.303 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.438 ' CG ' HD13 ' B' ' 36' ' ' LEU . 50.8 m80 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.401 HD23 ' N ' ' B' ' 29' ' ' SER . 1.6 tt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.401 ' N ' HD23 ' B' ' 28' ' ' LEU . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.438 HD13 ' CG ' ' B' ' 18' ' ' HIS . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.481 ' O ' HG12 ' B' ' 76' ' ' VAL . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' ALA . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.567 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 69' ' ' VAL . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' B' ' 4' ' ' LEU . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.9 m120 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 33' ' ' LEU . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' B' ' 75' ' ' VAL . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' B' ' 76' ' ' VAL . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 33' ' ' LEU . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.534 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.554 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.534 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.774 0.321 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.509 HD22 HG21 ' B' ' 69' ' ' VAL . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 4' ' ' LEU . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' B' ' 61' ' ' LEU . 2.9 m120 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.509 HG21 HD22 ' B' ' 33' ' ' LEU . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.567 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 75' ' ' VAL . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 76' ' ' VAL . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' B' ' 33' ' ' LEU . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.598 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.599 ' N ' HD23 ' A' ' 28' ' ' LEU . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 36' ' ' LEU . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 17.2 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' B' ' 4' ' ' LEU . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' B' ' 76' ' ' VAL . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.601 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 82' ' ' THR . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' B' ' 29' ' ' SER . 2.3 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' B' ' 28' ' ' LEU . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 36' ' ' LEU . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.505 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 76' ' ' VAL . 17.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 4' ' ' LEU . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.601 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 76' ' ' VAL . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.442 HG22 ' ND2' ' B' ' 86' ' ' ASN . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 82' ' ' THR . 67.5 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.312 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 36' ' ' LEU . 71.5 m80 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.791 0.329 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HD13 ' A' ' 28' ' ' LEU . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 69' ' ' VAL . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 18' ' ' HIS . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 81' ' ' LEU . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 39.4 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' NE2' ' A' ' 48' ' ' GLN . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' B' ' 4' ' ' LEU . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 75' ' ' VAL . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 37' ' ' LEU . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.865 0.364 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.44 ' N ' HD13 ' B' ' 28' ' ' LEU . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 69' ' ' VAL . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' B' ' 18' ' ' HIS . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 81' ' ' LEU . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 39.3 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.543 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.404 HG21 ' NE2' ' B' ' 48' ' ' GLN . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.612 HG21 HD22 ' B' ' 33' ' ' LEU . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.583 ' OH ' HD11 ' A' ' 4' ' ' LEU . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 75' ' ' VAL . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 37' ' ' LEU . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.711 0.291 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' B' ' 11' ' ' LEU . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 HD11 ' B' ' 4' ' ' LEU . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.754 0.311 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 72' ' ' GLN . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.429 HD11 HD23 ' A' ' 11' ' ' LEU . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' A' ' 4' ' ' LEU . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.73 0.3 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 51' ' ' VAL . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.402 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 72' ' ' GLN . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.789 0.328 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CG ' HD13 ' A' ' 36' ' ' LEU . 70.9 m80 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.817 0.342 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.585 ' N ' HD13 ' A' ' 28' ' ' LEU . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.725 ' HZ2' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 69' ' ' VAL . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD11 ' OE2' ' A' ' 40' ' ' GLU . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 10.6 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE2' HD11 ' A' ' 36' ' ' LEU . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.562 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.725 ' N ' ' HZ2' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.52 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.644 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.852 0.358 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.58 ' N ' HD13 ' B' ' 28' ' ' LEU . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.723 ' HZ2' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 69' ' ' VAL . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' B' ' 18' ' ' HIS . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 10.6 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 40' ' ' GLU . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE2' HD11 ' B' ' 36' ' ' LEU . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.605 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.723 ' N ' ' HZ2' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.527 HG21 HD22 ' B' ' 33' ' ' LEU . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.503 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.639 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD1' HD23 ' B' ' 11' ' ' LEU . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' B' ' 4' ' ' LEU . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.646 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.787 0.327 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.643 ' N ' HD13 ' A' ' 28' ' ' LEU . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 69' ' ' VAL . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 50' ' ' ASP . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.728 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' B' ' 76' ' ' VAL . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 82' ' ' THR . 82.8 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 11' ' ' LEU . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 4' ' ' LEU . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.644 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.757 0.313 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.644 ' N ' HD13 ' B' ' 28' ' ' LEU . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.706 HD22 HG21 ' B' ' 69' ' ' VAL . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.639 HD13 ' CG ' ' B' ' 18' ' ' HIS . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.0 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 54' ' ' VAL . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 50' ' ' ASP . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.706 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.402 HG22 ' ND2' ' B' ' 86' ' ' ASN . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' B' ' 82' ' ' THR . 82.9 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CG ' HD13 ' A' ' 36' ' ' LEU . 68.9 m80 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 18' ' ' HIS . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 48' ' ' GLN . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 45' ' ' LEU . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 76' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' B' ' 79' ' ' ALA . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' B' ' 76' ' ' VAL . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 79' ' ' ALA . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.51 ' CG ' HD13 ' B' ' 36' ' ' LEU . 68.8 m80 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.488 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.756 0.312 . . . . 0.0 110.204 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.488 ' N ' HD13 ' B' ' 28' ' ' LEU . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' B' ' 18' ' ' HIS . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.462 HD23 ' NE2' ' B' ' 48' ' ' GLN . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' NE2' HD23 ' B' ' 45' ' ' LEU . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.482 ' O ' HG23 ' B' ' 76' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 79' ' ' ALA . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 76' ' ' VAL . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' N ' HD13 ' A' ' 28' ' ' LEU . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ3' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 69' ' ' VAL . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 53' ' ' ALA . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.519 ' C ' ' HZ3' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 33' ' ' LEU . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' B' ' 79' ' ' ALA . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' B' ' 76' ' ' VAL . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 33' ' ' LEU . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 79' ' ' ALA . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 28' ' ' LEU . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.474 HD22 HG21 ' B' ' 69' ' ' VAL . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' B' ' 53' ' ' ALA . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' B' ' 50' ' ' ASP . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.54 ' C ' ' HZ3' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.474 HG21 HD22 ' B' ' 33' ' ' LEU . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 76' ' ' VAL . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' B' ' 33' ' ' LEU . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.631 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' ALA . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.73 0.3 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CG ' HD13 ' A' ' 36' ' ' LEU . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 29' ' ' SER . 2.0 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 69' ' ' VAL . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 18' ' ' HIS . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' B' ' 75' ' ' VAL . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' B' ' 76' ' ' VAL . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HD21 ' A' ' 33' ' ' LEU . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 79' ' ' ALA . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 82' ' ' THR . 89.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.574 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.544 ' CG ' HD13 ' B' ' 36' ' ' LEU . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.473 HD23 ' N ' ' B' ' 29' ' ' SER . 2.0 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.473 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.605 HD22 HG21 ' B' ' 69' ' ' VAL . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' B' ' 18' ' ' HIS . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' B' ' 41' ' ' LEU . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 37' ' ' LEU . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.0 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' A' ' 75' ' ' VAL . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' A' ' 76' ' ' VAL . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 33' ' ' LEU . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.584 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.604 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.464 HG22 ' ND2' ' B' ' 86' ' ' ASN . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 79' ' ' ALA . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' B' ' 82' ' ' THR . 89.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.823 0.344 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 15.0 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.0 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' B' ' 79' ' ' ALA . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 76' ' ' VAL . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 79' ' ' ALA . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 4' ' ' LEU . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.493 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 15.0 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CB ' HD12 ' A' ' 4' ' ' LEU . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.5 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 76' ' ' VAL . 16.0 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' A' ' 4' ' ' LEU . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.749 HG11 ' HB2' ' A' ' 79' ' ' ALA . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 76' ' ' VAL . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 79' ' ' ALA . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.2 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' CG ' HD13 ' A' ' 36' ' ' LEU . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 29' ' ' SER . 1.8 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.311 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' HD23 ' A' ' 28' ' ' LEU . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 18' ' ' HIS . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' A' ' 48' ' ' GLN . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' A' ' 45' ' ' LEU . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.7 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' B' ' 75' ' ' VAL . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' B' ' 76' ' ' VAL . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' ALA . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.321 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.401 ' CG ' HD13 ' B' ' 36' ' ' LEU . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.535 HD23 ' N ' ' B' ' 29' ' ' SER . 1.7 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.535 ' N ' HD23 ' B' ' 28' ' ' LEU . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' B' ' 18' ' ' HIS . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' B' ' 41' ' ' LEU . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' B' ' 48' ' ' GLN . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' B' ' 45' ' ' LEU . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.499 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG23 ' B' ' 76' ' ' VAL . 15.7 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 75' ' ' VAL . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 76' ' ' VAL . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.535 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -147.31 -3.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.774 0.321 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.13 -30.51 71.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD23 ' A' ' 28' ' ' LEU . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' CG ' HD13 ' A' ' 36' ' ' LEU . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -58.79 -31.81 68.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.87 -118.02 0.58 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 52.06 -101.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.71 0.29 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.83 145.39 42.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 179.45 46.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.24 137.82 47.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 76.2 tttt -81.91 66.67 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 25' ' ' LYS . 84.9 m-85 -152.92 -32.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.668 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.43 160.25 42.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 15' ' ' PHE . 1.1 mm? -100.21 149.09 23.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 69' ' ' VAL . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.3 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.601 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' B' ' 75' ' ' VAL . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' B' ' 76' ' ' VAL . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.53 HG22 ' ND2' ' A' ' 86' ' ' ASN . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' ALA . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.53 ' ND2' HG22 ' A' ' 82' ' ' THR . 78.9 m-20 -93.4 126.35 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -74.96 0.5 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -117.45 -9.86 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -94.84 3.14 55.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -52.63 143.24 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 54.5 p30 -144.37 -9.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.634 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 71.4 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -147.28 -3.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.1 -30.52 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.601 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' B' ' 28' ' ' LEU . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.434 ' CG ' HD13 ' B' ' 36' ' ' LEU . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -58.92 -31.71 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.86 -118.0 0.58 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 51.99 -101.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.77 145.37 42.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.26 179.44 46.88 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.2 137.8 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 110.576 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' B' ' 26' ' ' TYR . 76.1 tttt -81.98 66.74 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' B' ' 25' ' ' LYS . 84.6 m-85 -152.98 -32.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.45 160.33 42.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 15' ' ' PHE . 1.1 mm? -100.3 149.05 24.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.526 HD22 HG21 ' B' ' 69' ' ' VAL . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.521 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.3 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.596 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 75' ' ' VAL . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' A' ' 76' ' ' VAL . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.542 HG22 ' ND2' ' B' ' 86' ' ' ASN . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 79' ' ' ALA . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' B' ' 82' ' ' THR . 79.0 m-20 -93.42 126.37 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -99.67 8.79 44.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -75.04 0.64 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.47 -9.75 10.79 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -94.89 3.17 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -52.71 143.31 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' B' ' 92' ' ' ASN . 54.5 p30 -144.42 -9.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 71.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.623 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -69.39 -13.98 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.88 -30.61 46.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p -60.36 -24.03 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.97 153.38 24.35 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.16 -41.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.73 -65.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 -90.62 0.22 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.66 149.53 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -155.41 -16.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -102.03 6.24 40.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -172.79 -175.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt -122.66 118.95 29.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.327 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.547 ' N ' HD23 ' A' ' 28' ' ' LEU . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 35.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HG3' ' ND2' ' A' ' 87' ' ' ASN . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 53' ' ' ALA . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 50.8 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' B' ' 76' ' ' VAL . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD1' HD21 ' A' ' 33' ' ' LEU . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 79' ' ' ALA . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -87.0 125.69 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.517 HD21 ' N ' ' A' ' 87' ' ' ASN . 1.8 m120 -92.13 -4.67 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.578 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.63 -45.0 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.72 -24.16 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -87.5 137.48 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -116.07 132.18 56.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.39 -37.07 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.564 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -69.25 -14.06 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.735 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.86 -30.69 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p -60.33 -23.94 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.01 153.38 24.35 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.18 -41.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.79 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.548 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.51 -90.72 0.21 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -57.66 149.42 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' B' ' 26' ' ' TYR . 42.9 tttm -155.33 -16.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.408 ' H ' ' H ' ' B' ' 25' ' ' LYS . 73.9 m-85 -102.11 6.29 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -172.84 -175.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.715 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 29' ' ' SER . 2.4 tt -122.6 118.96 29.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.545 ' N ' HD23 ' B' ' 28' ' ' LEU . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.615 HD22 HG21 ' B' ' 69' ' ' VAL . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 35.5 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.439 ' HG3' ' ND2' ' B' ' 87' ' ' ASN . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' ALA . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.615 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 50.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 79' ' ' ALA . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 76' ' ' VAL . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' B' ' 33' ' ' LEU . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -86.97 125.68 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.505 ' N ' HD21 ' B' ' 87' ' ' ASN . 1.8 m120 -92.08 -4.72 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.67 -44.96 94.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.61 -24.3 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -87.53 137.41 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -115.97 132.25 56.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.49 -36.99 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.577 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -67.47 130.8 44.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.18 -29.25 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t -50.31 -32.87 18.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.24 93.81 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -61.27 -32.64 72.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -38.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.35 -164.64 7.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.24 129.96 43.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 94.0 mttt -88.5 4.33 47.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.06 -47.26 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.13 -171.22 1.83 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' SER . 3.3 tt -142.78 118.03 10.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 36' ' ' LEU . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.7 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' B' ' 75' ' ' VAL . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 76' ' ' VAL . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.63 102.71 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 6.9 p30 -86.07 93.58 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -164.89 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -96.03 5.62 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.556 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 31.1 m95 -80.51 157.9 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -133.98 174.58 10.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.88 -34.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.61 130.82 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.26 -29.1 64.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t -50.26 -32.89 17.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.19 93.95 0.09 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.32 -32.67 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -37.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.554 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.38 -164.75 7.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.19 129.97 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' O ' ' OG ' ' B' ' 19' ' ' SER . 94.0 mttt -88.42 4.18 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -81.98 -47.28 12.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.15 -171.19 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt -142.75 118.02 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.589 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 16.7 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' A' ' 75' ' ' VAL . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 76' ' ' VAL . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.58 102.76 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 7.0 p30 -86.14 93.55 9.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.591 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -164.89 -26.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.12 5.58 50.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.554 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 31.1 m95 -80.52 157.92 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -134.04 174.53 10.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.91 -34.73 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.567 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -95.93 135.09 38.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.4 -20.65 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OH ' ' B' ' 74' ' ' TYR . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' N ' HG13 ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' HD13 ' A' ' 36' ' ' LEU . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t -56.0 -32.43 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.46 122.64 7.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -151.51 50.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 52.81 57.31 6.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.36 -47.28 0.72 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -78.63 144.87 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.321 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' H ' ' H ' ' A' ' 26' ' ' TYR . 61.7 tttt -162.03 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 84.1 t80 -140.65 2.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 174.98 10.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -144.92 114.33 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 28' ' ' LEU . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 77' ' ' LEU . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' OH ' HD22 ' B' ' 4' ' ' LEU . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 76' ' ' VAL . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' ALA . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.08 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 89' ' ' PHE . 40.6 t-20 -94.06 -134.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' H ' ' CG ' ' A' ' 87' ' ' ASN . 44.7 t80 61.81 -69.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 87' ' ' ASN . 39.2 m-85 -48.54 -35.17 12.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.434 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 92.1 m95 -80.56 114.32 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.45 94.78 6.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.47 -37.27 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.537 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.87 135.08 38.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.47 -20.62 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.395 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.562 HD22 ' OH ' ' A' ' 74' ' ' TYR . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CG ' HD13 ' B' ' 36' ' ' LEU . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t -55.96 -32.52 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 122.6 7.06 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -151.46 50.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 52.88 57.3 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.24 0.72 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -78.55 144.95 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.427 ' H ' ' H ' ' B' ' 26' ' ' TYR . 61.7 tttt -162.18 -14.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.56 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.1 t80 -140.67 3.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 175.12 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -145.06 114.32 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.527 ' N ' HD13 ' B' ' 28' ' ' LEU . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' B' ' 77' ' ' LEU . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.435 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.441 ' N ' HD22 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.565 ' OH ' HD22 ' A' ' 4' ' ' LEU . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 79' ' ' ALA . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 76' ' ' VAL . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.13 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' B' ' 89' ' ' PHE . 40.6 t-20 -93.98 -134.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.448 ' H ' ' CG ' ' B' ' 87' ' ' ASN . 44.8 t80 61.71 -69.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' B' ' 87' ' ' ASN . 39.0 m-85 -48.65 -35.12 13.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.608 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.435 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 92.2 m95 -80.53 114.33 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.53 94.85 6.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.48 -37.22 70.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.56 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -144.59 17.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.29 -27.71 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' B' ' 11' ' ' LEU . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' B' ' 4' ' ' LEU . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CG ' HD13 ' A' ' 36' ' ' LEU . 62.2 m80 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m -55.4 -32.07 62.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.67 109.4 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.24 -46.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' OE2' ' OE1' ' A' ' 32' ' ' GLN . 22.6 pt-20 -144.05 135.52 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.501 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.62 -78.2 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' GLU . 81.0 m-20 -76.9 140.49 40.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.92 -22.71 13.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.87 -14.36 0.63 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.74 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 5.8 ttpm? -89.84 134.79 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.528 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -108.53 115.23 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.329 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 28' ' ' LEU . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' OE1' ' OE2' ' A' ' 22' ' ' GLU . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' OE1' HG21 ' A' ' 54' ' ' VAL . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' OE1' ' A' ' 48' ' ' GLN . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 79.7 m-20 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 76' ' ' VAL . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 79' ' ' ALA . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -81.78 161.41 23.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -133.24 -3.02 3.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -64.37 -45.78 86.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.15 -37.47 83.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -65.14 -45.85 83.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -165.03 152.08 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.8 p30 -91.22 7.71 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -144.62 17.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.508 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.502 ' CD1' HD23 ' A' ' 11' ' ' LEU . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 4' ' ' LEU . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.411 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.502 ' CG ' HD13 ' B' ' 36' ' ' LEU . 62.0 m80 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m -55.44 -32.06 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.62 109.35 0.56 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.29 -46.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' OE2' ' OE1' ' B' ' 32' ' ' GLN . 22.6 pt-20 -144.04 135.55 25.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.59 -78.29 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' B' ' 22' ' ' GLU . 80.9 m-20 -76.81 140.34 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.93 -22.64 13.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -143.86 -14.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 5.8 ttpm? -89.74 134.81 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.587 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -108.48 115.17 29.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.333 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.587 ' N ' HD13 ' B' ' 28' ' ' LEU . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.476 ' OE1' ' OE2' ' B' ' 22' ' ' GLU . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.451 HD22 HG21 ' B' ' 69' ' ' VAL . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' B' ' 18' ' ' HIS . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' B' ' 54' ' ' VAL . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG21 ' OE1' ' B' ' 48' ' ' GLN . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 79.7 m-20 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.451 HG21 HD22 ' B' ' 33' ' ' LEU . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 76' ' ' VAL . 18.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 76' ' ' VAL . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.581 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' ALA . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -81.76 161.43 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -133.09 -3.15 3.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.35 -45.73 86.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -67.17 -37.52 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -65.09 -45.96 83.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -164.97 152.01 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -91.2 7.76 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.22 143.0 33.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.614 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.95 -34.98 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.607 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -53.94 -33.93 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.35 -25.86 35.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.25 168.31 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.08 -121.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.55 1.79 0.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.05 28.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -45.48 -24.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.12 -34.2 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -146.65 -169.28 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 29' ' ' SER . 3.2 tt -135.72 116.54 14.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.584 ' N ' HD23 ' A' ' 28' ' ' LEU . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 77' ' ' LEU . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 39' ' ' THR . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.611 ' OH ' HD11 ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' B' ' 79' ' ' ALA . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' HD21 ' A' ' 33' ' ' LEU . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.86 134.1 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.55 -2.3 26.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.88 -44.82 84.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.88 -6.6 42.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLU . 50.0 m95 -91.61 -86.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.605 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.3 mt-10 37.16 89.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.418 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.97 -41.77 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.636 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.605 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -141.25 143.01 33.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.97 -34.97 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.611 HD11 ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -54.07 -33.84 58.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -25.94 35.1 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.15 168.31 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.04 -121.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.54 1.77 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.02 28.79 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' NZ ' ' CB ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -45.4 -24.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.11 -34.21 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -146.74 -169.28 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt -135.67 116.55 14.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.426 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.581 ' N ' HD23 ' B' ' 28' ' ' LEU . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' B' ' 77' ' ' LEU . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' B' ' 39' ' ' THR . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.408 ' O ' HG23 ' B' ' 76' ' ' VAL . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.607 ' OH ' HD11 ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 79' ' ' ALA . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' B' ' 33' ' ' LEU . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.721 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.93 134.12 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.47 -2.38 26.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.84 -44.83 84.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -71.93 -6.64 43.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' B' ' 91' ' ' GLU . 50.3 m95 -91.56 -86.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.3 mt-10 37.09 89.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -50.93 -41.79 59.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.613 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -71.85 -14.44 61.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.761 0.315 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.17 -31.06 65.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD11 ' OH ' ' B' ' 74' ' ' TYR . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -54.81 -32.82 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.33 162.03 35.15 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -150.74 -84.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.78 -172.96 44.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 57.61 45.24 19.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 11.4 ttmm -76.4 66.01 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 49.3 m-85 -160.36 -10.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 26' ' ' TYR . 20.7 pttp -172.68 -173.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.06 149.92 52.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' A' ' 30' ' ' LYS . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 69' ' ' VAL . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 11.1 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 33' ' ' LEU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.654 ' OH ' HD11 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' B' ' 76' ' ' VAL . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -94.39 118.75 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -96.45 -1.59 47.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.04 -43.02 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -63.79 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -69.22 96.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.28 147.31 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.1 p-10 -154.67 36.17 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.557 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.542 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -71.7 -14.56 62.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.698 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.15 -31.05 64.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.654 HD11 ' OH ' ' A' ' 74' ' ' TYR . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -54.66 -32.9 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.32 161.97 35.09 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -150.76 -83.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.76 -172.9 44.64 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 57.52 45.27 19.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 11.3 ttmm -76.39 65.85 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 49.5 m-85 -160.22 -10.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -172.68 -173.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.08 149.86 52.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' B' ' 30' ' ' LYS . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.584 HD22 HG21 ' B' ' 69' ' ' VAL . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 11.0 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.43 ' H ' HG23 ' B' ' 54' ' ' VAL . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.584 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.646 ' OH ' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.677 HG11 ' HB2' ' A' ' 79' ' ' ALA . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' B' ' 33' ' ' LEU . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -94.51 118.76 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -96.39 -1.63 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.661 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.99 -43.03 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.9 -31.72 73.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -69.41 96.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.3 147.35 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 10.1 p-10 -154.73 36.24 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.544 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 1' ' ' GLY . 46.3 t 44.42 99.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.09 -28.59 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' B' ' 11' ' ' LEU . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 4' ' ' LEU . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p -59.31 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.66 90.59 1.66 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -103.16 -140.21 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -68.16 -104.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.9 m-20 -65.46 68.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' LYS . 49.0 pttt 35.15 27.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 70.4 t80 35.03 28.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 25' ' ' LYS . 96.3 mttt 43.58 -171.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.365 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.5 107.96 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 69' ' ' VAL . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.428 HE22 HG23 ' A' ' 51' ' ' VAL . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 HE22 ' A' ' 48' ' ' GLN . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 33' ' ' LEU . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 86' ' ' ASN . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ALA . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 82' ' ' THR . 53.7 m-80 -64.41 146.47 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.38 53.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.4 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -60.28 -31.14 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -66.48 157.76 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.07 -122.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -144.75 0.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.606 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 1' ' ' GLY . 46.3 t 44.34 99.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.593 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.14 -28.54 69.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 11' ' ' LEU . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 4' ' ' LEU . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p -59.37 -46.18 89.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.63 90.58 1.66 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -103.11 -140.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -68.18 -104.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 26' ' ' TYR . 82.0 m-20 -65.63 68.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' B' ' 27' ' ' LYS . 49.0 pttt 35.06 27.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 70.6 t80 35.07 28.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' B' ' 25' ' ' LYS . 96.2 mttt 43.68 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.279 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.52 107.84 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.61 HD22 HG21 ' B' ' 69' ' ' VAL . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.409 HE22 HG23 ' B' ' 51' ' ' VAL . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.409 HG23 HE22 ' B' ' 48' ' ' GLN . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.61 HG21 HD22 ' B' ' 33' ' ' LEU . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.419 HG22 ' ND2' ' B' ' 86' ' ' ASN . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 79' ' ' ALA . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' B' ' 82' ' ' THR . 53.9 m-80 -64.5 146.36 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.29 53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.38 -46.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -60.22 -31.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -66.43 157.71 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.1 -122.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -144.76 0.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.562 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -63.37 155.28 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.35 -29.24 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' A' ' 36' ' ' LEU . 51.0 m80 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p -58.04 -29.41 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.12 -157.74 32.4 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 61.0 -154.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' ASP . 13.7 pt-20 -63.21 -11.21 19.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -66.52 11.07 0.6 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 22' ' ' GLU . 87.3 m-20 51.83 101.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.3 -19.71 5.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -65.35 -38.0 88.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.7 pttm -167.23 -165.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 29' ' ' SER . 1.6 tt -136.98 112.91 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.211 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.538 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 76' ' ' VAL . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' ALA . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' CG ' ' N ' ' A' ' 87' ' ' ASN . 24.3 t-20 -71.8 172.58 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 86' ' ' ASN . 47.0 t-20 -141.85 -5.6 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -76.9 -49.16 16.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -54.89 -43.15 72.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.76 -29.89 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 55.48 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.676 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -63.5 155.22 29.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.21 -29.33 69.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.438 ' CG ' HD13 ' B' ' 36' ' ' LEU . 50.8 m80 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p -58.08 -29.44 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.02 -157.82 32.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 60.9 -154.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' B' ' 24' ' ' ASP . 13.8 pt-20 -63.15 -11.2 18.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -66.53 11.03 0.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' B' ' 22' ' ' GLU . 87.6 m-20 51.81 101.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.528 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.37 -19.59 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -65.4 -38.0 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.6 pttm -167.3 -165.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.401 HD23 ' N ' ' B' ' 29' ' ' SER . 1.6 tt -136.98 112.95 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.155 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.401 ' N ' HD23 ' B' ' 28' ' ' LEU . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.438 HD13 ' CG ' ' B' ' 18' ' ' HIS . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.481 ' O ' HG12 ' B' ' 76' ' ' VAL . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' ALA . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 88' ' ' PHE . 24.3 t-20 -71.77 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' B' ' 86' ' ' ASN . 47.0 t-20 -141.93 -5.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.641 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 61.7 t80 -77.0 -49.2 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -54.81 -43.16 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.602 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.89 -29.82 69.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.561 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 55.46 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.91 -35.45 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.567 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.35 17.56 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.487 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -49.83 -24.68 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t -57.97 -30.67 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -50.17 -107.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 47.3 mttp 57.45 160.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.888 0.375 . . . . 0.0 110.641 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.86 148.27 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.568 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 94.93 -171.56 30.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 26' ' ' TYR . 49.5 m-20 -67.89 70.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' LYS . 39.0 mmtm 51.58 13.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 87.4 t80 41.86 17.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' LYS . 38.9 mttm 46.55 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.68 107.97 6.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.189 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 69' ' ' VAL . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' B' ' 4' ' ' LEU . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' LEU . 2.9 m120 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 33' ' ' LEU . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' B' ' 75' ' ' VAL . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' B' ' 76' ' ' VAL . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 33' ' ' LEU . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.534 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 -83.91 150.31 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 44.2 t30 -134.71 77.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 91.4 m-85 -160.64 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -77.85 -5.64 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -63.17 136.27 57.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -102.34 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.584 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -70.1 59.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.591 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.39 17.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -49.81 -24.51 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.554 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.534 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t -57.98 -30.6 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -50.17 -107.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 47.4 mttp 57.47 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.688 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -64.86 148.24 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.86 -171.48 30.19 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' B' ' 26' ' ' TYR . 49.4 m-20 -67.9 70.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.627 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 27' ' ' LYS . 39.0 mmtm 51.52 13.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 87.5 t80 41.87 17.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 25' ' ' LYS . 39.1 mttm 46.61 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.67 107.9 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.509 HD22 HG21 ' B' ' 69' ' ' VAL . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 4' ' ' LEU . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.457 ' O ' ' O ' ' B' ' 61' ' ' LEU . 2.9 m120 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.509 HG21 HD22 ' B' ' 33' ' ' LEU . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.567 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 75' ' ' VAL . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 76' ' ' VAL . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' B' ' 33' ' ' LEU . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.598 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 -83.94 150.36 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 44.2 t30 -134.75 77.23 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' B' ' 87' ' ' ASN . 91.2 m-85 -160.7 -38.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 1.2 m-85 -77.88 -5.57 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -63.11 136.2 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.27 -179.6 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -69.99 59.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.598 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -62.81 -13.49 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 57.6 mp0 -51.45 -28.97 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 44.3 p -63.86 -30.19 71.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 79.29 1.07 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -153.61 -56.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.02 -54.43 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.69 7.1 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.7 m-20 -139.91 121.75 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.66 28.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 27' ' ' LYS . 42.6 p90 -146.76 -32.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 15.4 ttpp -93.42 142.2 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.637 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt -137.97 120.04 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.599 ' N ' HD23 ' A' ' 28' ' ' LEU . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 36' ' ' LEU . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 17.2 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' B' ' 4' ' ' LEU . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' B' ' 76' ' ' VAL . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.601 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 82' ' ' THR . 67.2 m-20 -68.17 125.32 26.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -98.14 -10.28 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 -39.17 93.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -62.69 -42.99 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -62.71 85.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.554 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.96 37.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . 83.9 m-20 -81.57 3.3 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -62.77 -13.48 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 57.6 mp0 -51.49 -28.88 14.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 44.2 p -63.89 -30.16 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.32 79.23 1.07 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -153.49 -56.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.0 -54.36 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.64 7.03 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 61.9 m-20 -139.9 121.73 15.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.477 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.7 28.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 27' ' ' LYS . 42.4 p90 -146.79 -32.59 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 15.4 ttpp -93.43 142.21 27.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' B' ' 29' ' ' SER . 2.3 tt -137.93 120.01 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.369 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' B' ' 28' ' ' LEU . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 36' ' ' LEU . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.505 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 76' ' ' VAL . 17.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 4' ' ' LEU . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.601 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 76' ' ' VAL . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.442 HG22 ' ND2' ' B' ' 86' ' ' ASN . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 82' ' ' THR . 67.5 m-20 -68.18 125.25 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -98.08 -10.22 24.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.32 -39.08 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -62.74 -43.05 99.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -62.71 85.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -139.03 37.81 2.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 93' ' ' SER . 83.9 m-20 -81.54 3.24 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' B' ' 92' ' ' ASN . 1.2 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -96.21 132.26 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.49 -28.14 68.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 36' ' ' LEU . 71.5 m80 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -53.69 -29.37 38.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -73.91 -116.49 0.08 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.72 -96.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' GLY . 50.6 tt0 -142.03 125.44 16.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.23 -157.0 27.35 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.68 -4.91 59.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.44 27.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -160.62 -37.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.37 176.98 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -151.92 110.05 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.263 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HD13 ' A' ' 28' ' ' LEU . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 69' ' ' VAL . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' A' ' 18' ' ' HIS . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 81' ' ' LEU . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 39.4 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' NE2' ' A' ' 48' ' ' GLN . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' B' ' 4' ' ' LEU . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 75' ' ' VAL . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 37' ' ' LEU . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -71.98 160.65 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -137.02 -1.03 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -64.56 -40.41 95.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.55 -38.18 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 91' ' ' GLU . 55.4 m95 -60.71 -36.04 77.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.781 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.4 mt-10 -35.12 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.622 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.58 44.83 28.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -96.19 132.32 41.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.56 -28.1 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.511 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m -53.63 -29.42 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.87 -116.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.52 -96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 110.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -142.03 125.45 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.2 -157.12 27.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.53 -4.87 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.38 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -160.59 -37.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.33 176.83 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -151.77 110.06 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.44 ' N ' HD13 ' B' ' 28' ' ' LEU . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 69' ' ' VAL . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' B' ' 18' ' ' HIS . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 81' ' ' LEU . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 39.3 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.543 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.404 HG21 ' NE2' ' B' ' 48' ' ' GLN . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.612 HG21 HD22 ' B' ' 33' ' ' LEU . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.583 ' OH ' HD11 ' A' ' 4' ' ' LEU . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 75' ' ' VAL . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 37' ' ' LEU . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -71.97 160.59 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -136.91 -1.11 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.44 -40.41 95.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -68.52 -38.26 80.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' B' ' 91' ' ' GLU . 55.3 m95 -60.69 -36.01 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.4 mt-10 -35.21 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.54 44.81 28.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.518 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -80.9 157.28 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.04 -35.24 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' B' ' 11' ' ' LEU . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 HD11 ' B' ' 4' ' ' LEU . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.68 165.64 20.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.23 83.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 55.88 43.99 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.44 -115.06 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.8 p30 -82.64 71.66 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.685 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.2 2.22 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -64.85 -43.99 91.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -166.96 177.14 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.715 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp -104.34 130.46 52.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 72' ' ' GLN . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -98.0 105.7 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -88.73 80.87 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -148.6 -29.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -85.45 4.04 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.0 121.55 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -116.65 -93.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.578 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' H ' ' H ' ' A' ' 93' ' ' SER . 28.0 t30 -153.53 -16.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 92' ' ' ASN . 13.9 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.754 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -80.96 157.21 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.89 -35.24 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.429 HD11 HD23 ' A' ' 11' ' ' LEU . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' A' ' 4' ' ' LEU . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p -59.73 -22.73 62.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.69 165.68 20.17 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.26 82.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 55.9 43.96 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.45 -115.05 0.42 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.5 p30 -82.72 71.78 9.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.32 2.21 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -64.85 -43.96 91.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.655 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -166.97 177.2 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.733 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp -104.3 130.49 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 51' ' ' VAL . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.402 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 72' ' ' GLN . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.97 105.6 17.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -88.66 80.94 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -148.62 -29.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -85.42 4.04 37.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -67.97 121.62 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.604 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -116.75 -93.37 0.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -153.45 -16.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.614 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -145.86 152.18 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.73 -32.92 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CG ' HD13 ' A' ' 36' ' ' LEU . 70.9 m80 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.66 -25.1 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.25 -29.6 7.44 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.52 -47.79 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.0 -26.1 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.54 67.96 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.1 m-20 -97.51 57.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.478 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.6 77.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 16.0 t80 -175.15 -32.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.27 -169.54 3.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -143.95 116.05 8.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.328 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.585 ' N ' HD13 ' A' ' 28' ' ' LEU . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.725 ' HZ2' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 69' ' ' VAL . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD11 ' OE2' ' A' ' 40' ' ' GLU . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 10.6 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE2' HD11 ' A' ' 36' ' ' LEU . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.562 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.725 ' N ' ' HZ2' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.52 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.644 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.91 143.92 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -114.14 -18.32 11.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.01 -42.9 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -68.27 -16.35 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -89.75 -92.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 40.48 44.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -84.28 80.18 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.532 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -145.83 152.15 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.69 -33.0 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -25.06 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.32 -29.7 7.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.4 -47.77 82.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.05 -26.1 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.92 -9.4 68.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' B' ' 26' ' ' TYR . 81.1 m-20 -97.5 57.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.473 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.59 77.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.581 ' N ' ' O ' ' B' ' 24' ' ' ASP . 15.8 t80 -175.23 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.3 -169.56 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -143.96 116.09 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.354 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.58 ' N ' HD13 ' B' ' 28' ' ' LEU . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.723 ' HZ2' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 69' ' ' VAL . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' B' ' 18' ' ' HIS . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 10.6 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 40' ' ' GLU . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE2' HD11 ' B' ' 36' ' ' LEU . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.605 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.723 ' N ' ' HZ2' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.527 HG21 HD22 ' B' ' 33' ' ' LEU . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.503 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.639 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.99 143.9 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -114.08 -18.29 11.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -57.96 -42.96 86.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -68.28 -16.4 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -89.73 -92.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 40.53 44.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -84.4 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.07 155.71 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 53.0 mp0 -64.64 -31.63 72.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD1' HD23 ' B' ' 11' ' ' LEU . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' B' ' 4' ' ' LEU . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.646 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.46 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.13 -98.29 1.35 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.15 169.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.595 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.68 97.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.41 -141.58 7.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.19 120.31 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.16 45.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.36 1.8 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.23 169.66 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -99.11 122.98 43.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.288 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.643 ' N ' HD13 ' A' ' 28' ' ' LEU . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 69' ' ' VAL . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 50' ' ' ASP . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.728 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' B' ' 76' ' ' VAL . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 82' ' ' THR . 82.8 m-20 -85.18 122.95 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -94.93 0.88 55.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -62.49 -47.23 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -61.97 -30.53 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -82.05 -173.25 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 46.68 90.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -76.96 -0.36 24.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.577 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.05 155.68 40.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 53.0 mp0 -64.59 -31.59 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 11' ' ' LEU . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 4' ' ' LEU . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.47 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.08 -98.23 1.34 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.06 169.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 97.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.49 -141.57 7.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -82.16 120.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -97.15 45.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.35 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 169.6 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.644 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -98.96 122.89 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.368 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.644 ' N ' HD13 ' B' ' 28' ' ' LEU . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.706 HD22 HG21 ' B' ' 69' ' ' VAL . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.639 HD13 ' CG ' ' B' ' 18' ' ' HIS . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.0 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 54' ' ' VAL . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 50' ' ' ASP . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.706 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.402 HG22 ' ND2' ' B' ' 86' ' ' ASN . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' B' ' 82' ' ' THR . 82.9 m-20 -85.22 123.03 30.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.94 0.84 55.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -62.55 -47.16 85.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -82.01 -173.3 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.515 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 46.75 89.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -76.89 -0.39 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.58 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -110.8 146.12 36.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.29 -27.99 69.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CG ' HD13 ' A' ' 36' ' ' LEU . 68.9 m80 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -62.79 -25.71 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.18 148.31 17.42 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.79 -59.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.609 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -149.0 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.56 -122.11 2.46 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.93 149.58 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.33 -25.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -76.77 -8.43 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.31 -178.1 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.719 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 18' ' ' HIS . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 48' ' ' GLN . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 45' ' ' LEU . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 76' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' B' ' 79' ' ' ALA . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' B' ' 76' ' ' VAL . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 79' ' ' ALA . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 t-20 -62.56 168.27 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 92.2 m-20 -141.57 52.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.49 -30.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -73.45 -21.23 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -95.02 151.13 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -139.43 146.96 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.07 -36.87 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.562 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -110.91 146.02 37.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.24 -28.04 69.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.51 ' CG ' HD13 ' B' ' 36' ' ' LEU . 68.8 m80 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -62.61 -25.78 68.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.15 148.39 17.63 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.81 -59.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -149.0 -40.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.55 -122.07 2.45 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -57.94 149.48 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.583 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.28 -25.09 0.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' B' ' 26' ' ' TYR . 64.8 t80 -76.9 -8.27 57.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.36 -178.13 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.488 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -108.04 116.35 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.204 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.488 ' N ' HD13 ' B' ' 28' ' ' LEU . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' B' ' 18' ' ' HIS . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.462 HD23 ' NE2' ' B' ' 48' ' ' GLN . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' NE2' HD23 ' B' ' 45' ' ' LEU . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.482 ' O ' HG23 ' B' ' 76' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 79' ' ' ALA . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 76' ' ' VAL . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 6.1 t-20 -62.65 168.3 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 91.6 m-20 -141.48 52.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.48 -30.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -73.53 -21.18 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -139.44 146.98 40.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.1 -36.84 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.543 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.93 9.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.33 -28.62 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.54 109.19 0.25 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.26 -16.27 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -169.28 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.09 -116.98 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.5 159.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -128.86 13.28 6.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.436 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 29.8 p90 -174.46 35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.41 147.88 40.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -133.62 105.85 7.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' N ' HD13 ' A' ' 28' ' ' LEU . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ3' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 69' ' ' VAL . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 53' ' ' ALA . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.519 ' C ' ' HZ3' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 33' ' ' LEU . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' B' ' 79' ' ' ALA . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' B' ' 76' ' ' VAL . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 33' ' ' LEU . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 79' ' ' ALA . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.65 127.01 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.71 -2.08 57.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.4 141.61 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.61 133.91 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -56.02 -26.06 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.605 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -143.95 9.27 1.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.42 -28.6 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.28 -32.39 69.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.55 109.08 0.25 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.22 -16.23 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.681 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -169.27 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.11 -116.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -49.54 159.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -128.79 13.19 6.35 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 29.9 p90 -174.41 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.45 148.04 40.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -133.75 105.8 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.312 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 28' ' ' LEU . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.474 HD22 HG21 ' B' ' 69' ' ' VAL . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' B' ' 53' ' ' ALA . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' B' ' 50' ' ' ASP . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.54 ' C ' ' HZ3' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.474 HG21 HD22 ' B' ' 33' ' ' LEU . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 76' ' ' VAL . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' B' ' 33' ' ' LEU . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.631 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' ALA . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.53 126.95 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.73 -1.97 57.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.33 -40.89 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.97 -44.0 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.67 133.93 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.01 -26.14 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.599 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.448 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -79.16 18.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.524 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.81 -33.83 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CG ' HD13 ' A' ' 36' ' ' LEU . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -56.48 -36.66 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.21 -139.29 10.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt 58.45 -164.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.741 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.59 153.48 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.39 -172.97 40.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.18 113.89 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -78.11 -14.51 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -63.22 -36.82 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.41 170.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 29' ' ' SER . 2.0 tt -93.23 112.95 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.37 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 69' ' ' VAL . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 18' ' ' HIS . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' B' ' 75' ' ' VAL . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' B' ' 76' ' ' VAL . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HD21 ' A' ' 33' ' ' LEU . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 79' ' ' ALA . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 82' ' ' THR . 89.1 m-20 -68.91 121.78 17.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.11 -8.94 24.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.94 -47.51 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.42 -40.17 77.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.454 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 76.0 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.36 14.17 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' SER . 25.6 t30 50.97 34.48 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 92' ' ' ASN . 35.9 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.714 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.46 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -79.31 18.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.72 -33.91 64.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.663 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.574 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.544 ' CG ' HD13 ' B' ' 36' ' ' LEU . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -56.5 -36.67 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.16 -139.33 10.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.37 -164.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.758 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -172.96 40.17 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.14 113.82 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.305 . . . . 0.0 110.58 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -78.01 -14.61 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -63.18 -36.79 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.46 170.54 18.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.473 HD23 ' N ' ' B' ' 29' ' ' SER . 2.0 tt -93.16 112.98 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.473 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.605 HD22 HG21 ' B' ' 69' ' ' VAL . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' B' ' 18' ' ' HIS . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' B' ' 41' ' ' LEU . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 37' ' ' LEU . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.0 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' A' ' 75' ' ' VAL . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' A' ' 76' ' ' VAL . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 33' ' ' LEU . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.584 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.604 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.464 HG22 ' ND2' ' B' ' 86' ' ' ASN . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 79' ' ' ALA . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' B' ' 82' ' ' THR . 89.0 m-20 -68.87 121.64 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.01 -8.86 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -62.95 -47.53 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.32 -40.23 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 76.1 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.33 14.22 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' B' ' 93' ' ' SER . 25.6 t30 50.86 34.53 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.625 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 92' ' ' ASN . 35.7 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.719 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -61.0 -7.39 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.592 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.97 -35.05 70.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 -144.94 17.83 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 22' ' ' GLU . 7.4 mtmp? 61.44 51.07 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.741 0.305 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 21' ' ' LYS . 74.8 tt0 56.55 151.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.56 66.95 0.94 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.42 86.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -81.85 41.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -136.45 -39.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.89 -179.53 8.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.44 142.87 39.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 15.0 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 87' ' ' ASN . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.0 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' B' ' 79' ' ' ALA . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 76' ' ' VAL . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 79' ' ' ALA . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.81 177.42 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 27.2 m-80 -147.01 -9.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.583 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.88 -40.63 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -55.15 -36.6 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 64.7 m95 -69.1 116.53 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.15 150.0 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.554 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 93' ' ' SER . 63.2 t-20 -57.87 -37.7 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 92' ' ' ASN . 41.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -60.95 -7.44 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.9 -35.16 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 4' ' ' LEU . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -62.97 -42.99 99.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.47 -144.94 17.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 7.4 mtmp? 61.47 51.09 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' LYS . 74.7 tt0 56.58 151.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 66.88 0.94 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.41 86.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -81.88 41.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -136.45 -39.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.92 -179.61 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.37 142.83 39.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.157 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.493 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 15.0 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CB ' HD12 ' A' ' 4' ' ' LEU . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.5 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' NZ ' ' OD1' ' B' ' 87' ' ' ASN . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.446 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 76' ' ' VAL . 16.0 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' A' ' 4' ' ' LEU . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.749 HG11 ' HB2' ' A' ' 79' ' ' ALA . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 76' ' ' VAL . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 79' ' ' ALA . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.85 177.37 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 27.4 m-80 -146.93 -9.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.74 -40.63 88.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -55.07 -36.65 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.446 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 64.9 m95 -69.18 116.6 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.1 150.0 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 93' ' ' SER . 63.1 t-20 -57.89 -37.59 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 92' ' ' ASN . 41.1 t . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 151.06 43.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 54.6 mp0 -63.6 -27.58 69.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' CG ' HD13 ' A' ' 36' ' ' LEU . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t -52.52 -26.37 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.43 154.92 26.27 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.57 -57.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.64 -79.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.17 69.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 38.3 p30 -73.7 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 46.5 tttm 69.98 46.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -143.93 159.0 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 29' ' ' SER . 1.8 tt -104.25 118.93 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' HD23 ' A' ' 28' ' ' LEU . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 18' ' ' HIS . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' A' ' 48' ' ' GLN . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' A' ' 45' ' ' LEU . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 76' ' ' VAL . 15.7 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' B' ' 75' ' ' VAL . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' B' ' 76' ' ' VAL . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' ALA . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -64.92 104.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.4 -8.93 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.53 -42.8 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.27 -33.78 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -80.24 116.57 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.77 129.2 41.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.55 -33.21 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.95 151.09 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.6 mp0 -63.61 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.401 ' CG ' HD13 ' B' ' 36' ' ' LEU . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t -52.47 -26.39 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.4 154.89 26.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.48 -58.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.61 -79.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.588 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.13 -33.17 69.26 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.9 p30 -73.72 -116.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.576 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 46.5 tttm 70.03 46.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -161.63 -47.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -144.01 158.98 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.535 HD23 ' N ' ' B' ' 29' ' ' SER . 1.7 tt -104.19 118.96 37.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.263 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.535 ' N ' HD23 ' B' ' 28' ' ' LEU . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' B' ' 18' ' ' HIS . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' B' ' 41' ' ' LEU . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' B' ' 48' ' ' GLN . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' B' ' 45' ' ' LEU . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.499 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG23 ' B' ' 76' ' ' VAL . 15.7 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 75' ' ' VAL . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 76' ' ' VAL . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.535 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.01 103.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.44 -8.88 59.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.54 -42.78 97.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.469 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.26 -33.82 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.25 116.59 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -94.83 129.15 41.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.5 -33.22 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.515 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.533 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.831 0.348 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD23 ' A' ' 28' ' ' LEU . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.431 ' CG ' HD13 ' A' ' 36' ' ' LEU . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 15' ' ' PHE . 1.1 mm? . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.821 0.343 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 69' ' ' VAL . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.8 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.601 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' B' ' 75' ' ' VAL . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' B' ' 76' ' ' VAL . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.53 HG22 ' ND2' ' A' ' 86' ' ' ASN . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' ALA . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.53 ' ND2' HG22 ' A' ' 82' ' ' THR . 78.9 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.748 0.309 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.601 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' B' ' 28' ' ' LEU . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.434 ' CG ' HD13 ' B' ' 36' ' ' LEU . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 15' ' ' PHE . 1.1 mm? . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.526 HD22 HG21 ' B' ' 69' ' ' VAL . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.521 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.8 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.596 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 75' ' ' VAL . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' A' ' 76' ' ' VAL . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.542 HG22 ' ND2' ' B' ' 86' ' ' ASN . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 79' ' ' ALA . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' B' ' 82' ' ' THR . 79.0 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.819 0.342 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.547 ' N ' HD23 ' A' ' 28' ' ' LEU . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 53' ' ' ALA . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 41.9 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' B' ' 76' ' ' VAL . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD1' HD21 ' A' ' 33' ' ' LEU . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 79' ' ' ALA . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 29' ' ' SER . 2.4 tt . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.733 0.302 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.545 ' N ' HD23 ' B' ' 28' ' ' LEU . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.615 HD22 HG21 ' B' ' 69' ' ' VAL . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.6 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' ALA . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.615 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 41.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 79' ' ' ALA . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 76' ' ' VAL . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' B' ' 33' ' ' LEU . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' SER . 3.3 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.747 0.308 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 36' ' ' LEU . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' B' ' 75' ' ' VAL . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 76' ' ' VAL . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.753 0.311 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.589 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.2 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' A' ' 75' ' ' VAL . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 76' ' ' VAL . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OH ' ' B' ' 74' ' ' TYR . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' N ' HG13 ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' HD13 ' A' ' 36' ' ' LEU . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.781 0.324 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 28' ' ' LEU . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 77' ' ' LEU . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.562 ' OH ' HD22 ' B' ' 4' ' ' LEU . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 76' ' ' VAL . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' ALA . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.562 HD22 ' OH ' ' A' ' 74' ' ' TYR . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CG ' HD13 ' B' ' 36' ' ' LEU . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.527 ' N ' HD13 ' B' ' 28' ' ' LEU . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' B' ' 77' ' ' LEU . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.441 ' N ' HD22 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.565 ' OH ' HD22 ' A' ' 4' ' ' LEU . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 79' ' ' ALA . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 76' ' ' VAL . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' B' ' 11' ' ' LEU . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' B' ' 4' ' ' LEU . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.8 m-70 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.827 0.346 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 28' ' ' LEU . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 18' ' ' HIS . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' OE1' HG21 ' A' ' 54' ' ' VAL . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' OE1' ' A' ' 48' ' ' GLN . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 11.0 m120 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 76' ' ' VAL . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 79' ' ' ALA . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.816 0.341 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.502 ' CD1' HD23 ' A' ' 11' ' ' LEU . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 4' ' ' LEU . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.411 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.534 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.2 m-70 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.587 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.708 0.289 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.587 ' N ' HD13 ' B' ' 28' ' ' LEU . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.451 HD22 HG21 ' B' ' 69' ' ' VAL . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' B' ' 18' ' ' HIS . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' B' ' 54' ' ' VAL . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG21 ' OE1' ' B' ' 48' ' ' GLN . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 11.0 m120 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.451 HG21 HD22 ' B' ' 33' ' ' LEU . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 76' ' ' VAL . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.581 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' ALA . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.607 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.784 0.326 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.584 ' N ' HD23 ' A' ' 28' ' ' LEU . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 77' ' ' LEU . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 39' ' ' THR . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.611 ' OH ' HD11 ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' B' ' 79' ' ' ALA . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' HD21 ' A' ' 33' ' ' LEU . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.718 0.294 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.611 HD11 ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.581 ' N ' HD23 ' B' ' 28' ' ' LEU . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' B' ' 77' ' ' LEU . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' B' ' 39' ' ' THR . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.408 ' O ' HG23 ' B' ' 76' ' ' VAL . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.607 ' OH ' HD11 ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 79' ' ' ALA . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' B' ' 33' ' ' LEU . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.721 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.646 HD11 ' OH ' ' B' ' 74' ' ' TYR . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' A' ' 30' ' ' LYS . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 69' ' ' VAL . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 1.9 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 33' ' ' LEU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.654 ' OH ' HD11 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' B' ' 76' ' ' VAL . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.838 0.352 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.654 HD11 ' OH ' ' A' ' 74' ' ' TYR . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' B' ' 30' ' ' LYS . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.584 HD22 HG21 ' B' ' 69' ' ' VAL . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 1.9 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.43 ' H ' HG23 ' B' ' 54' ' ' VAL . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.584 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.646 ' OH ' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.677 HG11 ' HB2' ' A' ' 79' ' ' ALA . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' B' ' 33' ' ' LEU . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.828 0.347 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' B' ' 11' ' ' LEU . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 4' ' ' LEU . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.522 ' CD2' HD13 ' A' ' 36' ' ' LEU . 85.3 m-70 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.858 0.361 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 69' ' ' VAL . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 18' ' ' HIS . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 HE22 HG23 ' A' ' 51' ' ' VAL . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 HE22 ' A' ' 48' ' ' GLN . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 33' ' ' LEU . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 86' ' ' ASN . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ALA . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 82' ' ' THR . 53.7 m-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 11' ' ' LEU . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 4' ' ' LEU . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.2 m-70 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.61 HD22 HG21 ' B' ' 69' ' ' VAL . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 18' ' ' HIS . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.409 HE22 HG23 ' B' ' 51' ' ' VAL . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.409 HG23 HE22 ' B' ' 48' ' ' GLN . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.61 HG21 HD22 ' B' ' 33' ' ' LEU . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.419 HG22 ' ND2' ' B' ' 86' ' ' ASN . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 79' ' ' ALA . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' B' ' 82' ' ' THR . 53.9 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.773 0.32 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' A' ' 36' ' ' LEU . 65.9 m-70 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 29' ' ' SER . 1.6 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.538 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 76' ' ' VAL . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' ALA . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.737 0.303 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.438 ' CG ' HD13 ' B' ' 36' ' ' LEU . 65.7 m-70 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.401 HD23 ' N ' ' B' ' 29' ' ' SER . 1.6 tt . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.401 ' N ' HD23 ' B' ' 28' ' ' LEU . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.438 HD13 ' CG ' ' B' ' 18' ' ' HIS . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.481 ' O ' HG12 ' B' ' 76' ' ' VAL . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' ALA . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.787 0.327 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.567 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 69' ' ' VAL . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' B' ' 4' ' ' LEU . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 64' ' ' ASN . 1.3 m-80 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 33' ' ' LEU . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' B' ' 75' ' ' VAL . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' B' ' 76' ' ' VAL . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 33' ' ' LEU . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.534 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.554 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.534 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.774 0.321 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.509 HD22 HG21 ' B' ' 69' ' ' VAL . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 4' ' ' LEU . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.466 HD22 ' N ' ' B' ' 64' ' ' ASN . 1.3 m-80 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.509 HG21 HD22 ' B' ' 33' ' ' LEU . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.567 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 75' ' ' VAL . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 76' ' ' VAL . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' B' ' 33' ' ' LEU . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.598 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.0 m-70 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.599 ' N ' HD23 ' A' ' 28' ' ' LEU . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 36' ' ' LEU . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' B' ' 4' ' ' LEU . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' B' ' 76' ' ' VAL . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.601 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 82' ' ' THR . 67.2 m-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.475 ' CD2' HD13 ' B' ' 36' ' ' LEU . 95.9 m-70 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' B' ' 29' ' ' SER . 2.3 tt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' B' ' 28' ' ' LEU . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 36' ' ' LEU . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.505 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 4' ' ' LEU . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.601 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 76' ' ' VAL . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.442 HG22 ' ND2' ' B' ' 86' ' ' ASN . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 82' ' ' THR . 67.5 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.312 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.791 0.329 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HD13 ' A' ' 28' ' ' LEU . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 69' ' ' VAL . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 18' ' ' HIS . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 81' ' ' LEU . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 6.6 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' NE2' ' A' ' 48' ' ' GLN . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' B' ' 4' ' ' LEU . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 75' ' ' VAL . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 37' ' ' LEU . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 m120 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.865 0.364 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.44 ' N ' HD13 ' B' ' 28' ' ' LEU . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 69' ' ' VAL . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' B' ' 18' ' ' HIS . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 81' ' ' LEU . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 6.6 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.543 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.404 HG21 ' NE2' ' B' ' 48' ' ' GLN . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.612 HG21 HD22 ' B' ' 33' ' ' LEU . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.583 ' OH ' HD11 ' A' ' 4' ' ' LEU . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 75' ' ' VAL . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 37' ' ' LEU . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.711 0.291 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' B' ' 11' ' ' LEU . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 HD11 ' B' ' 4' ' ' LEU . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.754 0.311 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 72' ' ' GLN . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.429 HD11 HD23 ' A' ' 11' ' ' LEU . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' A' ' 4' ' ' LEU . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.73 0.3 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 51' ' ' VAL . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.402 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 72' ' ' GLN . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.789 0.328 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.0 m-70 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.817 0.342 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.585 ' N ' HD13 ' A' ' 28' ' ' LEU . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.725 ' HZ2' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 69' ' ' VAL . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 1.7 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE2' HD11 ' A' ' 36' ' ' LEU . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.562 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.725 ' N ' ' HZ2' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.52 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.644 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.729 0.299 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.852 0.358 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.58 ' N ' HD13 ' B' ' 28' ' ' LEU . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.723 ' HZ2' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 69' ' ' VAL . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' B' ' 18' ' ' HIS . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 1.7 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 40' ' ' GLU . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE2' HD11 ' B' ' 36' ' ' LEU . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.605 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.723 ' N ' ' HZ2' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.527 HG21 HD22 ' B' ' 33' ' ' LEU . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.503 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.639 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD1' HD23 ' B' ' 11' ' ' LEU . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' B' ' 4' ' ' LEU . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.646 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.787 0.327 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.643 ' N ' HD13 ' A' ' 28' ' ' LEU . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 69' ' ' VAL . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.2 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 50' ' ' ASP . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.728 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' B' ' 76' ' ' VAL . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 82' ' ' THR . 82.8 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 11' ' ' LEU . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 4' ' ' LEU . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.644 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.757 0.313 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.644 ' N ' HD13 ' B' ' 28' ' ' LEU . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.706 HD22 HG21 ' B' ' 69' ' ' VAL . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.639 HD13 ' CG ' ' B' ' 18' ' ' HIS . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.3 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 54' ' ' VAL . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 50' ' ' ASP . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.706 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.402 HG22 ' ND2' ' B' ' 86' ' ' ASN . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' B' ' 82' ' ' THR . 82.9 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 91.8 m-70 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.797 0.332 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 48' ' ' GLN . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 45' ' ' LEU . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 76' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' B' ' 79' ' ' ALA . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' B' ' 76' ' ' VAL . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 79' ' ' ALA . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.808 0.337 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' B' ' 36' ' ' LEU . 91.8 m-70 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.488 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.756 0.312 . . . . 0.0 110.204 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.488 ' N ' HD13 ' B' ' 28' ' ' LEU . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' B' ' 18' ' ' HIS . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.462 HD23 ' NE2' ' B' ' 48' ' ' GLN . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' NE2' HD23 ' B' ' 45' ' ' LEU . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.482 ' O ' HG23 ' B' ' 76' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 79' ' ' ALA . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 76' ' ' VAL . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 36' ' ' LEU . 74.9 m-70 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' N ' HD13 ' A' ' 28' ' ' LEU . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ3' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 69' ' ' VAL . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 53' ' ' ALA . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.519 ' C ' ' HZ3' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 33' ' ' LEU . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' B' ' 79' ' ' ALA . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' B' ' 76' ' ' VAL . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 33' ' ' LEU . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 79' ' ' ALA . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' B' ' 36' ' ' LEU . 75.1 m-70 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 28' ' ' LEU . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.474 HD22 HG21 ' B' ' 69' ' ' VAL . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' B' ' 18' ' ' HIS . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' B' ' 53' ' ' ALA . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' B' ' 50' ' ' ASP . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.54 ' C ' ' HZ3' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.474 HG21 HD22 ' B' ' 33' ' ' LEU . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 76' ' ' VAL . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' B' ' 33' ' ' LEU . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.631 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' ALA . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.73 0.3 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CG ' HD13 ' A' ' 36' ' ' LEU . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 29' ' ' SER . 2.0 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 69' ' ' VAL . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 18' ' ' HIS . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' B' ' 75' ' ' VAL . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' B' ' 76' ' ' VAL . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HD21 ' A' ' 33' ' ' LEU . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 79' ' ' ALA . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 82' ' ' THR . 89.1 m-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.574 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.544 ' CG ' HD13 ' B' ' 36' ' ' LEU . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.473 HD23 ' N ' ' B' ' 29' ' ' SER . 2.0 tt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.473 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.605 HD22 HG21 ' B' ' 69' ' ' VAL . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' B' ' 18' ' ' HIS . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' B' ' 41' ' ' LEU . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 37' ' ' LEU . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.5 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' A' ' 75' ' ' VAL . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' A' ' 76' ' ' VAL . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 33' ' ' LEU . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.584 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.604 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.464 HG22 ' ND2' ' B' ' 86' ' ' ASN . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 79' ' ' ALA . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' B' ' 82' ' ' THR . 89.0 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.823 0.344 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 18.5 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' B' ' 79' ' ' ALA . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 76' ' ' VAL . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 79' ' ' ALA . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.347 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 4' ' ' LEU . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.875 0.369 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.493 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.5 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CB ' HD12 ' A' ' 4' ' ' LEU . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.5 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.409 ' N ' HD22 ' B' ' 64' ' ' ASN . 3.2 m120 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' A' ' 4' ' ' LEU . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.749 HG11 ' HB2' ' A' ' 79' ' ' ALA . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 76' ' ' VAL . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 79' ' ' ALA . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' CG ' HD13 ' A' ' 36' ' ' LEU . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 29' ' ' SER . 1.8 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.754 0.311 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' HD23 ' A' ' 28' ' ' LEU . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 18' ' ' HIS . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' A' ' 48' ' ' GLN . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' A' ' 45' ' ' LEU . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' B' ' 75' ' ' VAL . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' B' ' 76' ' ' VAL . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' ALA . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 54.6 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.321 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.401 ' CG ' HD13 ' B' ' 36' ' ' LEU . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.535 HD23 ' N ' ' B' ' 29' ' ' SER . 1.7 tt . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.535 ' N ' HD23 ' B' ' 28' ' ' LEU . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' B' ' 18' ' ' HIS . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' B' ' 41' ' ' LEU . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' B' ' 48' ' ' GLN . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' B' ' 45' ' ' LEU . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.499 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.0 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 75' ' ' VAL . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 76' ' ' VAL . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.535 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -147.31 -3.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.774 0.321 . . . . 0.0 110.543 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.13 -30.51 71.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -45.22 -44.86 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.01 -36.98 78.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m -62.5 -38.51 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.66 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.696 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.406 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 6.3 mmt -59.29 -41.92 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.629 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -68.44 -32.53 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -67.56 -46.24 73.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.23 -46.16 89.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.97 -33.38 63.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.6 -47.58 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.725 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.7 t -69.69 -49.31 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD23 ' A' ' 28' ' ' LEU . 63.9 t80 -55.03 -44.66 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -67.87 -28.22 67.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.74 76.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' CG ' HD13 ' A' ' 36' ' ' LEU . 25.1 m-70 -88.1 -5.22 58.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -58.79 -31.81 68.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.87 -118.02 0.58 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 52.06 -101.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.71 0.29 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.83 145.39 42.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.25 179.45 46.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.24 137.82 47.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.82 0.343 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 76.2 tttt -81.91 66.67 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 25' ' ' LYS . 84.9 m-85 -152.92 -32.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.668 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.43 160.25 42.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 15' ' ' PHE . 1.1 mm? -100.21 149.09 23.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -101.18 159.07 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.363 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.6 -45.98 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.32 -48.43 73.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.693 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.93 -35.49 80.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 69' ' ' VAL . 50.0 tp -63.46 -35.19 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.658 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -54.27 -43.45 71.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.4 mt-10 -74.03 -48.89 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.5 tp -53.23 -40.29 64.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.14 -65.59 0.67 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.9 pt20 -64.94 -43.4 92.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.09 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 27.3 m -42.98 -42.87 3.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.8 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -89.07 -48.55 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.786 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.4 mp -75.01 11.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.676 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 33.2 t -51.94 -31.0 26.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.81 -42.75 77.82 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 110.751 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.93 -25.52 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -50.05 -38.66 38.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.636 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.11 91.13 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -93.89 117.22 29.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.65 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -140.33 82.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 p -67.01 -28.51 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.51 -42.67 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.74 -42.47 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.16 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.691 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.46 -39.37 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.659 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -58.35 -36.89 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.57 -37.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.78 -45.59 89.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -23.84 60.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.52 -41.01 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' O ' ' O ' ' A' ' 64' ' ' ASN . 19.5 mt -73.07 -35.14 66.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.455 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -59.02 -39.33 81.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.659 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.18 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.505 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' LEU . 33.6 m120 -106.93 119.32 39.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.16 -50.5 0.87 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.0 p30 -75.64 -1.81 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.316 . . . . 0.0 110.62 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.91 -175.3 7.01 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.93 170.07 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.606 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -142.64 -170.6 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.712 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -126.56 -179.07 4.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.07 -52.74 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.8 pt20 -51.76 -42.66 62.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.615 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.85 -39.59 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.601 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.4 t80 -64.98 -25.95 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' B' ' 75' ' ' VAL . 41.9 t -81.23 -25.58 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' B' ' 76' ' ' VAL . 47.3 t -75.56 -46.86 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' ALA . 61.2 mt -59.82 -55.62 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.8 m -45.33 -38.87 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.597 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -71.81 -30.73 65.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -66.16 -45.51 80.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.718 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -73.34 -39.02 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.674 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.53 HG22 ' ND2' ' A' ' 86' ' ' ASN . 37.5 m -55.25 -41.48 72.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.614 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' ALA . 65.6 t -70.82 -42.54 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.81 -40.79 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.66 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.7 m -83.56 -27.33 29.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.745 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.53 ' ND2' HG22 ' A' ' 82' ' ' THR . 78.9 m-20 -93.4 126.35 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -74.96 0.5 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -117.45 -9.86 10.79 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -94.84 3.14 55.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -52.63 143.24 16.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 54.5 p30 -144.37 -9.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.634 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 71.4 m . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.614 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -147.28 -3.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.1 -30.52 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.601 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -45.26 -44.83 11.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.34 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.98 -37.02 78.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -62.45 -38.52 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.642 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.69 88.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.402 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 6.3 mmt -59.27 -41.96 90.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.42 -32.48 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.584 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 64.8 m -67.54 -46.23 73.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.37 -46.12 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.92 -33.36 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.631 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.65 -47.65 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.662 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.65 -49.24 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' B' ' 28' ' ' LEU . 63.9 t80 -55.13 -44.59 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.86 -28.27 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.609 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.18 -41.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.805 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.434 ' CG ' HD13 ' B' ' 36' ' ' LEU . 25.3 m-70 -88.17 -5.13 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.807 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -58.92 -31.71 68.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.86 -118.0 0.58 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 51.99 -101.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.77 145.37 42.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.26 179.44 46.88 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -72.2 137.8 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.347 . . . . 0.0 110.576 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.447 ' C ' ' CD1' ' B' ' 26' ' ' TYR . 76.1 tttt -81.98 66.74 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' B' ' 25' ' ' LYS . 84.6 m-85 -152.98 -32.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -146.45 160.33 42.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 15' ' ' PHE . 1.1 mm? -100.3 149.05 24.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.146 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -101.06 159.07 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -57.74 -45.86 85.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.97 -35.47 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.526 HD22 HG21 ' B' ' 69' ' ' VAL . 50.1 tp -63.46 -35.18 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.683 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -54.33 -43.34 71.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.626 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 39' ' ' THR . 87.7 mt-10 -74.18 -48.81 26.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.547 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.2 tp -53.17 -40.32 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.11 -65.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.9 pt20 -64.95 -43.3 93.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.159 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 27.7 m -43.08 -42.86 4.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.765 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -89.02 -48.6 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.521 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.5 mp -74.97 11.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 38' ' ' GLN . 33.2 t -51.85 -31.1 26.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.85 -42.67 77.88 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -70.7 -40.54 72.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.776 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.1 mt -56.91 -25.58 57.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -50.09 -38.7 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.13 91.23 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -93.85 117.25 29.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.52 -25.69 63.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -140.37 82.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -67.08 -28.5 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -55.54 -42.55 74.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.641 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.5 76.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.05 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -54.6 -39.26 67.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -58.44 -37.01 74.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.582 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.46 -37.81 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.3 mmt -63.71 -45.57 89.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.658 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -23.83 60.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.51 -40.99 84.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 64' ' ' ASN . 19.5 mt -73.05 -35.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.98 -39.38 81.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.23 -47.83 80.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' B' ' 61' ' ' LEU . 33.6 m120 -107.12 119.35 39.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.391 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.1 -50.62 0.87 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.0 p30 -75.55 -1.89 26.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.742 0.306 . . . . 0.0 110.645 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.83 -175.3 6.91 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -159.97 170.04 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -142.63 -170.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -126.56 -179.17 4.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.491 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -63.1 -52.56 62.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.675 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.436 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.8 pt20 -51.91 -42.61 62.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.97 -39.58 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.596 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.3 t80 -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.214 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.581 HG12 HG12 ' A' ' 75' ' ' VAL . 42.0 t -81.22 -25.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.602 HG22 HG22 ' A' ' 76' ' ' VAL . 47.1 t -75.59 -46.85 35.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 80' ' ' ALA . 61.2 mt -59.85 -55.62 31.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m -45.24 -38.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.711 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -71.75 -30.73 65.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -66.15 -45.47 80.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.774 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -73.35 -39.13 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.542 HG22 ' ND2' ' B' ' 86' ' ' ASN . 37.2 m -55.25 -41.33 72.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 79' ' ' ALA . 66.1 t -71.0 -42.37 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.703 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.83 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 71.0 m -83.55 -27.35 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.542 ' ND2' HG22 ' B' ' 82' ' ' THR . 79.0 m-20 -93.42 126.37 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -99.67 8.79 44.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -75.04 0.64 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.684 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.47 -9.75 10.79 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -94.89 3.17 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -52.71 143.31 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' B' ' 92' ' ' ASN . 54.5 p30 -144.42 -9.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 71.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.623 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -69.39 -13.98 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.73 0.3 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.88 -30.61 46.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.2 tt -49.49 -41.84 41.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.399 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.81 -38.02 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.5 m -70.24 -35.95 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.92 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.574 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.11 -35.57 71.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.766 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.34 -34.03 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.6 m -65.13 -46.65 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.604 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.92 -42.26 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.482 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.47 -35.78 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -63.09 -45.04 93.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.57 -42.83 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.11 -45.93 92.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' O ' ' OG ' ' A' ' 19' ' ' SER . 19.3 t-80 -64.24 -27.94 69.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.87 63.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -92.25 0.08 57.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 56.7 p -60.36 -24.03 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -159.97 153.38 24.35 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.16 -41.22 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.589 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.73 -65.86 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.63 -90.62 0.22 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.66 149.53 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -155.41 -16.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -102.03 6.24 40.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -172.79 -175.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.652 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt -122.66 118.95 29.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.327 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.547 ' N ' HD23 ' A' ' 28' ' ' LEU . 18.7 t -66.92 154.58 40.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -68.47 -48.57 64.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.83 -43.24 38.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -70.65 -37.12 73.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.452 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -51.75 -37.58 51.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.185 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.61 -34.47 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.292 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.5 tt0 -82.92 -36.58 25.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.31 -53.93 36.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.64 -40.2 96.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.7 tt0 -73.26 -47.09 45.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 60.2 m -57.86 -50.78 72.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.61 -42.75 91.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.92 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.7 mt -88.89 2.19 54.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.731 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' GLN . 98.5 p -44.26 -25.06 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -36.91 8.5 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.54 -42.38 67.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.782 0.325 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.95 -29.65 21.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.67 -13.99 47.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.55 100.62 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.595 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.76 121.64 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.597 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' NZ ' ' ND2' ' A' ' 87' ' ' ASN . 3.2 mmmm -64.21 -56.07 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.29 114.75 26.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.583 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.15 -31.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -53.92 -40.75 66.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -66.65 -31.63 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 t -81.72 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.72 -58.44 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.49 -29.2 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 53' ' ' ALA . 49.6 t -63.2 -62.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.41 -25.42 67.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.111 0.481 . . . . 0.0 109.779 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.24 -50.3 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.544 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -58.75 -46.9 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.497 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.21 -30.95 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.348 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.6 -41.32 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.38 -37.23 86.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -94.42 161.35 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.692 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.15 3.79 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -142.03 0.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.24 -172.14 44.23 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -153.45 159.55 42.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.613 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 33' ' ' LEU . 2.5 m -122.47 164.98 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -99.06 -178.83 4.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -63.9 -43.98 94.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' VAL . 41.9 mt-30 -59.95 -54.72 42.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.2 -41.22 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 27.7 t80 -64.49 -36.9 85.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.142 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.8 t -81.5 -26.67 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' B' ' 76' ' ' VAL . 95.9 t -73.27 -40.46 57.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.725 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD1' HD21 ' A' ' 33' ' ' LEU . 15.7 mt -64.5 -57.8 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.5 m -45.34 -40.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.629 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.89 -31.58 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -67.15 -52.03 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.764 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.6 mp -65.36 -36.69 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.9 m -54.7 -40.83 69.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 79' ' ' ALA . 58.8 t -67.73 -41.31 85.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.565 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.41 68.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.11 -34.77 29.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.636 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -87.0 125.69 34.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.454 ' ND2' ' NZ ' ' A' ' 49' ' ' LYS . 8.4 m-20 -92.13 -4.67 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.578 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.63 -45.0 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.72 -24.16 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -87.5 137.48 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -116.07 132.18 56.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -63.39 -37.07 85.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.564 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -69.25 -14.06 62.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.323 . . . . 0.0 110.735 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -53.86 -30.69 46.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.2 tt -49.56 -41.77 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -38.05 89.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -70.28 -35.95 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.94 95.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.627 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -58.06 -35.54 71.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.739 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.46 -33.92 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.7 m -65.18 -46.64 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.93 -42.19 97.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -67.58 -35.67 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -63.09 -45.12 93.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -69.53 -42.8 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.621 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -61.21 -45.74 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 19.2 t-80 -64.37 -27.9 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.625 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.83 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.2 0.0 57.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 16' ' ' HIS . 56.9 p -60.33 -23.94 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.01 153.38 24.35 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -146.18 -41.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -153.79 -65.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.548 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.51 -90.72 0.21 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -57.66 149.42 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' B' ' 26' ' ' TYR . 42.9 tttm -155.33 -16.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.408 ' H ' ' H ' ' B' ' 25' ' ' LYS . 73.9 m-85 -102.11 6.29 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -172.84 -175.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.715 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 29' ' ' SER . 2.4 tt -122.6 118.96 29.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.391 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.545 ' N ' HD23 ' B' ' 28' ' ' LEU . 18.9 t -66.97 154.53 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -68.44 -48.57 64.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -48.78 -43.26 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -70.56 -37.19 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.481 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.615 HD22 HG21 ' B' ' 69' ' ' VAL . 43.4 tp -51.76 -37.5 51.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.264 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.67 -34.44 72.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.289 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.4 tt0 -82.92 -36.6 25.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.732 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.5 tp -65.32 -53.77 38.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.69 -40.17 96.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.691 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.6 tt0 -73.39 -47.14 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 60.6 m -57.74 -50.81 72.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.7 -42.61 90.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.978 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 75.5 mt -89.05 2.34 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' B' ' 38' ' ' GLN . 98.5 p -44.27 -25.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.31 -36.88 8.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.55 -42.46 67.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.719 0.295 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mp -51.79 -29.74 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -63.71 -13.91 47.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.681 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.53 100.73 3.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -149.85 121.6 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' NZ ' ' ND2' ' B' ' 87' ' ' ASN . 3.2 mmmm -64.19 -56.05 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -96.27 114.74 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.12 -31.42 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.694 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.84 -40.8 66.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.407 ' O ' HG23 ' B' ' 57' ' ' VAL . . . -66.65 -31.64 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.7 t -81.66 -23.86 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.68 -58.4 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -49.51 -29.21 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 53' ' ' ALA . 49.3 t -63.31 -62.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.447 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.4 -25.57 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.109 0.481 . . . . 0.0 109.774 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -55.14 -50.33 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.538 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -58.74 -46.91 86.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.459 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.28 -30.91 66.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.59 -41.24 88.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.44 -37.27 86.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.723 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -94.41 161.41 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.721 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.18 3.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -142.14 0.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.25 -172.14 44.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' B' ' 68' ' ' GLU . 3.1 pp20? -153.46 159.53 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.615 HG21 HD22 ' B' ' 33' ' ' LEU . 2.5 m -122.45 164.9 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -99.0 -178.9 4.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.659 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -63.88 -43.87 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.622 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 75' ' ' VAL . 41.8 mt-30 -60.01 -54.63 43.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.547 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -44.37 -41.08 5.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 27.4 t80 -64.58 -36.94 85.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.035 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 79' ' ' ALA . 49.4 t -81.35 -26.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.787 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 76' ' ' VAL . 95.7 t -73.33 -40.46 56.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.688 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' B' ' 33' ' ' LEU . 15.9 mt -64.43 -57.85 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.882 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.423 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.6 m -45.33 -40.49 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.652 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.92 -31.56 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.721 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -67.22 -51.86 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.557 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.6 mp -65.42 -36.76 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.666 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -54.69 -40.88 69.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.3 t -67.61 -41.47 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 -29.33 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 40.6 t -82.11 -34.83 29.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -86.97 125.68 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.64 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.448 ' ND2' ' NZ ' ' B' ' 49' ' ' LYS . 8.4 m-20 -92.08 -4.72 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -62.67 -44.96 94.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.61 -24.3 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -87.53 137.41 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -115.97 132.25 56.7 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.465 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -63.49 -36.99 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.514 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.577 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -67.47 130.8 44.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.18 -29.25 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -47.82 -49.36 29.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.22 -37.88 75.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -60.45 -38.52 84.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -63.91 -39.94 95.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.605 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.17 -40.96 87.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.17 -36.47 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.61 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 91.4 m -69.94 -46.07 66.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.663 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.94 -46.78 87.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -29.06 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.71 -40.82 97.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.56 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.04 -44.63 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' SER . 68.8 t80 -59.54 -42.48 92.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.87 -42.37 98.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.657 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.45 89.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -95.13 5.38 51.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.6 t -50.31 -32.87 18.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.24 93.81 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -61.27 -32.64 72.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.522 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -38.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.35 -164.64 7.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.24 129.96 43.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.745 0.307 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' OG ' ' A' ' 19' ' ' SER . 94.0 mttt -88.5 4.33 47.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -82.06 -47.26 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.539 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.13 -171.22 1.83 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' SER . 3.3 tt -142.78 118.03 10.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.5 p -70.38 157.57 37.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -66.9 -46.57 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.644 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.86 -45.91 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.53 -32.45 66.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.813 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -65.75 -61.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.444 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -55.07 -25.24 29.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.735 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -75.05 -52.13 11.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.938 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 36' ' ' LEU . 1.6 pp -76.09 -24.93 55.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.8 -44.08 63.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.759 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 42' ' ' SER . 4.7 mt-30 -79.61 -46.94 16.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.03 -48.84 21.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -94.59 22.09 6.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 38' ' ' GLN . 30.5 t -64.26 3.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 41' ' ' LEU . . . -95.57 -61.71 1.0 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.13 -41.05 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 47' ' ' ALA . 85.4 mt -55.37 -27.64 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.646 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -68.51 13.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -166.42 22.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.734 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.596 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.57 3.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 95.3 m-20 -103.61 64.68 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.427 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.92 -24.69 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.87 -43.82 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.687 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -34.2 54.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.598 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.59 -50.11 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.46 -34.8 79.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.64 -37.28 73.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.2 t -83.41 -43.02 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.88 -45.35 92.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.694 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.76 -32.18 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.05 -43.46 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.57 -31.85 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.5 t70 -60.16 -39.43 86.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 76.5 mm-40 -38.45 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.714 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.99 134.05 42.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.37 3.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.14 -25.7 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.33 169.81 2.76 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.3 pm0 -141.1 174.62 10.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 110.473 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.76 151.91 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.585 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -95.24 176.97 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -56.12 -47.86 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 pt20 -57.27 -48.87 77.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.36 -40.82 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.446 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -64.22 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.22 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' B' ' 75' ' ' VAL . 38.7 t -75.72 -25.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 76' ' ' VAL . 47.5 t -72.6 -52.01 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.959 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.8 -57.35 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.123 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.25 -30.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.86 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -82.47 -40.31 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.23 -43.5 74.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 81' ' ' LEU . 8.0 mp -70.74 -39.45 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.84 -43.8 81.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.733 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.52 -37.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.622 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.12 82.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.617 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.2 m -85.01 -47.23 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.63 102.71 6.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 6.9 p30 -86.07 93.58 9.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -164.89 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -96.03 5.62 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.556 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 31.1 m95 -80.51 157.9 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -133.98 174.58 10.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.88 -34.86 56.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.558 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -67.61 130.82 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.571 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -71.26 -29.1 64.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -47.8 -49.43 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.23 -37.96 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.1 m -60.36 -38.59 84.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.405 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.2 mmt -59.22 -40.84 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.26 -36.4 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.569 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 91.6 m -70.05 -45.98 65.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.0 -46.77 87.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -29.12 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.69 -40.82 97.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.06 -44.63 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' B' ' 19' ' ' SER . 69.0 t80 -59.61 -42.37 92.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.47 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.701 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -95.19 5.44 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.715 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.518 ' N ' ' O ' ' B' ' 15' ' ' PHE . 6.6 t -50.26 -32.89 17.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.19 93.95 0.09 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -61.32 -32.67 72.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.531 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -144.07 -37.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.554 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.38 -164.75 7.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -62.19 129.97 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' O ' ' OG ' ' B' ' 19' ' ' SER . 94.0 mttt -88.42 4.18 47.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -81.98 -47.28 12.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -113.15 -171.19 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt -142.75 118.02 10.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.392 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.589 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.5 p -70.39 157.63 37.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -67.03 -46.53 74.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -46.82 -45.86 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -72.6 -32.47 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.772 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -65.8 -61.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.47 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -55.04 -25.41 30.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -74.96 -52.13 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.998 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.03 -24.95 55.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.93 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.81 -44.16 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 4.7 mt-30 -79.5 -46.96 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.638 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 24.5 m -47.06 -48.89 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.18 -42.45 72.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 41' ' ' LEU . 10.4 mp -94.6 22.15 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.724 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 30.5 t -64.38 3.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.626 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 41' ' ' LEU . . . -95.49 -61.66 1.01 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.11 -41.19 68.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.294 . . . . 0.0 110.727 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 47' ' ' ALA . 85.1 mt -55.32 -27.56 47.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -68.48 13.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -166.49 22.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.684 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -56.96 145.46 30.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.533 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -120.98 -32.54 3.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.475 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 95.1 m-20 -103.58 64.67 0.81 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.6 p -56.88 -24.65 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -55.88 -43.88 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.665 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.31 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -50.06 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.58 -37.25 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -83.36 -43.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.688 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.5 mmt -59.85 -45.36 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -68.81 -32.22 71.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.599 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.98 -43.5 81.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 66.2 mt -71.66 -31.82 67.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' B' ' 63' ' ' GLU . 4.5 t70 -60.07 -39.56 86.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' B' ' 62' ' ' ASP . 76.6 mm-40 -38.44 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.03 134.04 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.34 -37.45 3.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -67.1 -25.68 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.43 169.92 2.8 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.3 pm0 -141.08 174.6 10.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.482 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 m -140.76 151.98 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -95.26 177.0 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -56.26 -47.79 77.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.641 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.2 pt20 -57.28 -48.83 77.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.571 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -56.43 -40.84 75.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -64.12 -29.69 70.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.339 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.577 HG12 HG12 ' A' ' 75' ' ' VAL . 38.8 t -75.67 -25.57 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 76' ' ' VAL . 47.5 t -72.45 -52.0 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -54.7 -57.43 11.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -45.25 -30.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.494 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -82.6 -40.32 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.748 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.53 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.773 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 81' ' ' LEU . 8.0 mp -70.81 -39.5 73.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.713 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.7 m -56.79 -43.82 81.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.713 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.55 -37.69 75.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.09 82.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -85.02 -47.31 10.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.646 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.58 102.76 6.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 7.0 p30 -86.14 93.55 9.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.591 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -164.89 -26.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -96.12 5.58 50.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.554 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 31.1 m95 -80.52 157.92 25.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.51 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -134.04 174.53 10.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -52.91 -34.73 56.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.567 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -95.93 135.09 38.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.4 -20.65 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.565 HD22 ' OH ' ' B' ' 74' ' ' TYR . 51.4 tp -49.41 -39.88 34.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.589 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.43 -35.73 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.9 m -67.37 -36.91 82.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.5 84.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.532 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 7.8 mmt -60.53 -39.91 89.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.55 -30.69 67.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -75.17 -49.04 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.77 -33.49 75.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.722 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.74 -26.12 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.85 -56.78 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.782 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -58.29 -44.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' N ' HG13 ' A' ' 14' ' ' VAL . 49.8 t80 -63.86 -47.41 80.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.91 -32.07 52.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.612 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.14 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' HD13 ' A' ' 36' ' ' LEU . 87.1 m-70 -87.76 -16.29 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' PHE . 30.1 t -56.0 -32.43 63.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.617 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.46 122.64 7.08 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -151.51 50.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 52.81 57.31 6.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.502 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.36 -47.28 0.72 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -78.63 144.87 35.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.321 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' H ' ' H ' ' A' ' 26' ' ' TYR . 61.7 tttt -162.03 -14.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 84.1 t80 -140.65 2.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 174.98 10.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.463 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -144.92 114.33 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.368 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 28' ' ' LEU . 18.8 t -53.4 133.65 40.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.31 -46.32 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -55.78 -46.61 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -71.17 -31.33 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.402 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD21 ' CD1' ' A' ' 77' ' ' LEU . 44.6 tp -58.44 -31.27 67.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.64 -65.71 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.9 mt-10 -55.82 -46.7 78.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.645 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.3 tp -53.01 -43.21 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.601 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.68 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -62.75 -50.24 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.762 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.2 m -39.94 -38.19 0.67 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.15 -47.58 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.61 22.76 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.584 ' N ' ' O ' ' A' ' 38' ' ' GLN . 54.1 m -57.45 -38.87 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.57 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.42 83.45 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.21 -39.07 75.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 17.1 mt -64.07 -20.56 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.671 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -69.64 -3.76 16.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.529 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -164.73 101.97 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -130.95 178.45 6.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.639 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.76 -51.54 1.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.4 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.85 -32.92 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.511 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -56.48 -40.59 75.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.46 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.28 -29.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.722 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.07 -51.56 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.01 -31.27 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.73 -43.62 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.48 -47.16 82.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -27.01 67.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.78 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -41.9 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' GLY . 23.1 mt -75.03 -33.79 61.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.78 -42.62 97.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.18 -38.43 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 64' ' ' ASN . 2.7 m120 -89.48 -73.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 45.27 25.28 1.13 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -146.47 -13.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.784 0.326 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.0 -173.51 49.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.58 164.16 28.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.524 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.8 m -140.08 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -64.78 -50.23 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -51.22 -41.56 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.4 84.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.701 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.562 ' OH ' HD22 ' B' ' 4' ' ' LEU . 28.9 t80 -60.03 -32.49 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.5 t -71.15 -25.74 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 76' ' ' VAL . 40.5 t -73.64 -47.51 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 53.3 mt -57.74 -59.64 4.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.803 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.7 m -45.54 -25.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.69 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.83 -33.45 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.706 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -69.51 -50.07 48.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.778 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.5 mp -64.24 -37.86 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.771 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.535 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 54.2 m -53.38 -42.66 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' ALA . 41.9 t -69.56 -38.2 76.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.657 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.39 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 4.9 t -84.62 -57.37 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.08 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.556 ' O ' ' N ' ' A' ' 89' ' ' PHE . 40.6 t-20 -94.06 -134.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.437 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' H ' ' CG ' ' A' ' 87' ' ' ASN . 44.7 t80 61.81 -69.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 87' ' ' ASN . 39.2 m-85 -48.54 -35.17 12.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.434 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 92.1 m95 -80.56 114.32 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.45 94.78 6.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.47 -37.27 70.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.537 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -95.87 135.08 38.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.47 -20.62 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.395 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.562 HD22 ' OH ' ' A' ' 74' ' ' TYR . 51.2 tp -49.37 -39.88 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.48 -35.65 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.0 m -67.43 -36.88 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.53 84.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.535 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 7.7 mmt -60.56 -39.91 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.54 -30.72 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.0 m -75.18 -49.0 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.717 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.68 -33.53 75.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -74.78 -26.13 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -72.77 -56.89 4.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.54 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.6 p -58.3 -44.03 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.745 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.54 ' N ' HG13 ' B' ' 14' ' ' VAL . 49.9 t80 -63.83 -47.42 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.648 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -53.97 -32.08 52.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.559 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.19 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.67 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CG ' HD13 ' B' ' 36' ' ' LEU . 87.1 m-70 -87.73 -16.27 34.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.423 ' N ' ' O ' ' B' ' 15' ' ' PHE . 30.3 t -55.96 -32.52 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.621 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 122.6 7.06 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -151.46 50.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 52.88 57.3 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.31 -47.24 0.72 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -78.55 144.95 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.427 ' H ' ' H ' ' B' ' 26' ' ' TYR . 61.7 tttt -162.18 -14.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.56 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.1 t80 -140.67 3.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -142.56 175.12 10.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -145.06 114.32 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.527 ' N ' HD13 ' B' ' 28' ' ' LEU . 18.3 t -53.46 133.71 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.618 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -55.18 -46.49 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.72 -46.58 77.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -71.13 -31.45 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.415 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' B' ' 77' ' ' LEU . 44.7 tp -58.42 -31.21 67.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.54 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -56.65 -65.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.9 mt-10 -55.87 -46.71 78.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.642 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.2 tp -53.05 -43.13 66.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.71 -62.83 1.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -62.82 -50.15 72.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.794 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 99.5 m -40.08 -37.99 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.653 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -88.3 -47.54 8.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 80.6 mt -87.62 22.81 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 55.4 m -57.54 -38.84 75.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.54 83.87 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.18 -39.1 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.442 ' O ' ' CD ' ' B' ' 48' ' ' GLN . 17.0 mt -64.02 -20.65 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.646 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -69.51 -3.82 16.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.532 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.413 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -164.79 102.01 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -130.99 178.38 6.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -130.6 -51.51 1.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.435 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 91.0 m-20 -94.14 70.34 3.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.76 -32.98 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -56.5 -40.56 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.52 66.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.31 -29.62 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.11 -51.5 57.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -55.03 -31.27 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.715 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 70.3 t -81.74 -43.58 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.3 mmt -63.6 -47.0 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.775 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -27.05 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.07 -41.99 84.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.514 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.1 mt -74.93 -33.79 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.79 -42.58 97.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.26 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.441 ' N ' HD22 ' B' ' 64' ' ' ASN . 2.7 m120 -89.39 -73.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . 45.37 25.28 1.2 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.51 -13.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.723 0.297 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.04 -173.45 49.32 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -136.69 164.14 28.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.8 m -140.04 -168.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -129.48 -176.89 4.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.87 -50.16 67.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -51.24 -41.6 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -57.5 -45.28 85.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.785 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.565 ' OH ' HD22 ' A' ' 4' ' ' LEU . 28.8 t80 -60.09 -32.46 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.683 HG11 ' HB2' ' A' ' 79' ' ' ALA . 44.3 t -71.2 -25.67 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 76' ' ' VAL . 40.5 t -73.67 -47.48 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.658 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' B' ' 80' ' ' ALA . 53.2 mt -57.79 -59.67 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.489 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.2 m -45.37 -25.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.678 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.79 -33.36 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -69.56 -50.09 48.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.5 mp -64.2 -37.9 89.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.748 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.532 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 53.9 m -53.33 -42.7 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.64 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' ALA . 42.0 t -69.49 -38.27 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.674 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.38 80.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 4.9 t -84.57 -57.4 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -62.13 134.54 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.682 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' B' ' 89' ' ' PHE . 40.6 t-20 -93.98 -134.3 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.448 ' H ' ' CG ' ' B' ' 87' ' ' ASN . 44.8 t80 61.71 -69.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' B' ' 87' ' ' ASN . 39.0 m-85 -48.65 -35.12 13.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.608 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.435 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 92.2 m95 -80.53 114.33 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.613 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -101.53 94.85 6.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -56.48 -37.22 70.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.56 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 p -144.59 17.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.29 -27.71 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' B' ' 11' ' ' LEU . 9.2 tp -50.23 -38.36 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -62.37 -35.39 78.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -69.49 -36.44 76.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.662 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.77 -53.64 47.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.634 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 mmt -51.93 -40.84 61.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.6 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.75 -35.06 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.1 m -67.36 -45.75 75.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' B' ' 4' ' ' LEU . 14.4 mt -61.33 -46.52 89.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.01 -34.27 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.647 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -62.35 -47.46 84.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 80.1 t -68.65 -46.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD2' ' OG ' ' A' ' 19' ' ' SER . 78.2 t80 -60.08 -44.29 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.584 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 16' ' ' HIS . 39.3 t-80 -59.08 -26.74 64.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.84 -45.08 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.8 m-70 -90.41 -15.15 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.492 ' OG ' ' CD2' ' A' ' 15' ' ' PHE . 50.2 m -55.4 -32.07 62.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.67 109.4 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.24 -46.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' OE2' ' OE1' ' A' ' 32' ' ' GLN . 22.6 pt-20 -144.05 135.52 25.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.501 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.62 -78.2 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' GLU . 81.0 m-20 -76.9 140.49 40.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.92 -22.71 13.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.87 -14.36 0.63 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.74 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 5.8 ttpm? -89.84 134.79 34.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.528 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -108.53 115.23 29.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.329 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 28' ' ' LEU . 13.6 t -81.99 149.45 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.69 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -63.25 -49.16 75.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -48.78 -37.89 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.409 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' OE1' ' OE2' ' A' ' 22' ' ' GLU . 52.4 mt-30 -84.36 -21.15 31.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 69' ' ' VAL . 43.4 tp -63.76 -38.88 92.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.593 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.6 ptmt -51.19 -41.22 60.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 97.8 mt-10 -73.97 -45.27 51.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD13 ' CD2' ' A' ' 18' ' ' HIS . 26.3 tp -58.26 -45.64 87.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.716 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.1 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.03 -43.36 92.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -41.32 -45.61 3.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.47 -47.39 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.713 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -95.48 50.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.713 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 p -79.42 -33.12 42.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.88 -39.98 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.708 0.29 . . . . 0.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.05 -30.81 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.492 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -45.96 -29.92 1.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.59 130.51 32.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' OE1' HG21 ' A' ' 54' ' ' VAL . 31.2 mt-30 -144.6 125.12 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.14 -5.77 43.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.8 61.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.86 -14.16 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 1.5 p30 -52.66 -44.15 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -76.57 -38.52 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' OE1' ' A' ' 48' ' ' GLN . 85.3 t -57.25 -38.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.29 -31.46 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.09 -41.5 90.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.99 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.744 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.33 -42.87 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.13 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.44 -38.09 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 64' ' ' ASN . 9.3 mt -72.16 -32.7 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.592 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.63 -45.36 94.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.729 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -47.81 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.483 ' O ' ' O ' ' A' ' 61' ' ' LEU . 11.0 m120 -90.74 153.41 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.52 -33.99 0.63 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.3 p30 -84.03 5.68 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.573 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.77 158.51 43.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.3 152.17 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -119.29 177.17 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -124.33 -176.52 3.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.75 -52.18 66.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.687 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -55.11 -41.37 71.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.613 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.62 98.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.524 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -63.69 -24.33 67.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.442 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.0 t -79.03 -25.29 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 76' ' ' VAL . 43.5 t -74.28 -49.53 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' ALA . 32.7 mt -56.93 -57.75 11.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.37 -35.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -73.07 -26.0 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.51 -52.74 19.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.729 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.8 mp -61.86 -37.44 84.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.6 m -54.7 -41.49 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 79' ' ' ALA . 66.9 t -65.53 -43.1 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -44.38 96.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.745 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 88.1 m -69.26 -32.84 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -81.78 161.41 23.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.505 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -133.24 -3.02 3.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -64.37 -45.78 86.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -67.15 -37.47 83.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -65.14 -45.85 83.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -165.03 152.08 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.505 HD22 ' N ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -91.22 7.71 39.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.54 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.505 ' N ' HD22 ' A' ' 92' ' ' ASN . 2.1 p . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.557 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -144.62 17.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.508 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.502 ' CD1' HD23 ' A' ' 11' ' ' LEU . 9.3 tp -50.39 -38.2 41.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -62.41 -35.42 79.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.1 m -69.45 -36.45 76.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.88 -53.59 48.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.676 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -51.77 -40.89 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.72 -35.03 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.8 m -67.39 -45.76 75.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.674 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 4' ' ' LEU . 14.4 mt -61.35 -46.57 89.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -34.25 65.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.723 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -62.44 -47.34 84.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 80.0 t -68.69 -46.17 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.502 ' CD2' ' OG ' ' B' ' 19' ' ' SER . 78.1 t80 -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.654 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.411 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 39.1 t-80 -59.09 -26.74 64.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.725 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.82 -45.18 83.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.534 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.2 m-70 -90.29 -15.12 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD2' ' B' ' 15' ' ' PHE . 50.3 m -55.44 -32.06 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.599 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.62 109.35 0.56 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -151.29 -46.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' OE2' ' OE1' ' B' ' 32' ' ' GLN . 22.6 pt-20 -144.04 135.55 25.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.59 -78.29 0.02 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' B' ' 22' ' ' GLU . 80.9 m-20 -76.81 140.34 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.586 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -103.93 -22.64 13.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -143.86 -14.4 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 5.8 ttpm? -89.74 134.81 33.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.587 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -108.48 115.17 29.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.333 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.587 ' N ' HD13 ' B' ' 28' ' ' LEU . 13.2 t -81.89 149.44 28.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.19 -49.22 75.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -48.66 -38.06 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.476 ' OE1' ' OE2' ' B' ' 22' ' ' GLU . 52.3 mt-30 -84.28 -21.28 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.451 HD22 HG21 ' B' ' 69' ' ' VAL . 43.0 tp -63.55 -38.95 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.6 ptmt -51.13 -41.29 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 97.8 mt-10 -73.92 -45.44 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' B' ' 18' ' ' HIS . 25.9 tp -58.2 -45.67 87.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.681 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.03 -60.78 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -65.14 -43.23 92.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -41.36 -45.64 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.641 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.44 -47.35 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.748 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.52 50.7 1.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p -79.36 -33.12 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.86 -39.94 15.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.74 -37.87 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.97 -30.97 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.501 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -45.8 -29.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.58 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.65 130.52 32.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HG21 ' B' ' 54' ' ' VAL . 31.3 mt-30 -144.61 125.25 14.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.599 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -95.19 -5.81 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.552 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -148.72 61.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.78 -14.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 1.5 p30 -52.82 -44.04 66.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.609 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -76.52 -38.55 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG21 ' OE1' ' B' ' 48' ' ' GLN . 86.1 t -57.19 -38.54 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.25 -31.49 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -66.08 -41.49 90.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.62 -35.95 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.6 mmt -66.34 -42.91 87.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -22.15 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.692 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -57.47 -38.14 74.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 64' ' ' ASN . 9.4 mt -72.16 -32.68 67.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.591 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -60.64 -45.37 94.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -47.76 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' O ' ' B' ' 61' ' ' LEU . 11.0 m120 -90.76 153.4 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.57 -33.98 0.63 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.2 p30 -84.0 5.77 24.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.85 158.54 42.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -142.26 152.17 42.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.451 HG21 HD22 ' B' ' 33' ' ' LEU . 4.3 m -119.32 177.22 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -124.3 -176.49 3.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.81 -52.21 66.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.662 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.1 pt20 -54.98 -41.47 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.673 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.48 -41.64 98.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.55 -24.41 67.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 40.1 t -78.92 -25.51 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.753 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 76' ' ' VAL . 43.3 t -74.14 -49.59 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.855 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' B' ' 80' ' ' ALA . 32.7 mt -56.89 -57.76 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.97 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -45.31 -35.86 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.581 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.98 -26.01 61.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.659 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -70.53 -52.67 20.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.6 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.8 mp -61.94 -37.37 84.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -54.7 -41.49 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 79' ' ' ALA . 67.2 t -65.53 -43.14 94.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.645 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.44 96.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 88.0 m -69.23 -32.89 72.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -81.76 161.43 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -133.09 -3.15 3.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -64.35 -45.73 86.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -67.17 -37.52 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -65.09 -45.96 83.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -164.97 152.01 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.521 HD22 ' N ' ' B' ' 93' ' ' SER . 0.1 OUTLIER -91.2 7.76 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.521 ' N ' HD22 ' B' ' 92' ' ' ASN . 2.2 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -141.22 143.0 33.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.614 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.95 -34.98 79.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.607 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -48.89 -55.22 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.477 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 95.4 mt-10 -61.26 -34.46 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.66 -46.32 86.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.06 93.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.563 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 2.3 mmt -55.38 -38.85 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -68.77 -37.79 79.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.7 m -57.48 -43.06 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.771 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.74 -37.44 87.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.74 -33.76 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -62.45 -54.58 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.739 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.0 t -64.22 -35.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.71 -62.4 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -61.3 -30.01 70.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.742 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -52.4 -35.25 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.68 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.57 -53.84 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -53.94 -33.93 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.35 -25.86 35.09 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.25 168.31 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.08 -121.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.55 1.79 0.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.05 28.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -45.48 -24.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.594 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.12 -34.2 71.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -146.65 -169.28 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 29' ' ' SER . 3.2 tt -135.72 116.54 14.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.584 ' N ' HD23 ' A' ' 28' ' ' LEU . 7.8 t -51.45 138.19 22.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.615 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.564 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -43.88 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.389 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.28 -27.7 66.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 77' ' ' LEU . 6.6 tp -63.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -56.31 -36.02 68.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.644 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -82.87 -45.03 14.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.53 -43.58 72.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -50.94 -50.34 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.586 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 4.0 mt-30 -78.62 -44.52 23.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 39' ' ' THR . 24.3 m -39.95 -43.41 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.656 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.06 -48.32 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.779 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.1 mt -81.42 35.79 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.62 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.33 -54.02 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.654 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.51 99.72 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.0 m-85 -58.11 -39.13 77.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.26 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -67.95 -3.44 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.69 97.14 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -144.36 107.77 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.77 -49.73 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.698 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.11 109.15 21.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.83 -14.29 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.662 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.81 -44.24 86.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.72 -38.17 64.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.77 -47.98 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.43 -33.96 76.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.77 -34.92 73.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.618 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.5 t -82.79 -40.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.586 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 13.1 mmt -61.16 -42.65 98.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -25.3 58.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.552 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.74 -49.48 70.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 64' ' ' ASN . 12.5 mt -72.42 -26.61 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -61.64 -40.83 96.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -91.91 155.57 18.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.4 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.95 -15.06 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.99 178.32 12.95 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.74 170.45 15.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.14 158.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.538 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -93.04 174.95 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.16 -47.45 86.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.92 -44.37 78.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.62 -43.49 56.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.611 ' OH ' HD11 ' B' ' 4' ' ' LEU . 6.4 t80 -61.28 -34.46 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG11 ' HB2' ' B' ' 79' ' ' ALA . 43.0 t -73.45 -25.57 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 60.6 t -72.47 -51.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.965 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' HD21 ' A' ' 33' ' ' LEU . 13.0 mt -55.8 -59.53 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 82' ' ' THR . 27.5 m -45.24 -34.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.754 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.715 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -72.39 -37.53 68.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.655 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.1 -54.14 42.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.714 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.3 mp -59.79 -33.92 72.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.56 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 85.9 m -57.77 -42.19 83.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.644 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.29 -44.56 99.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.28 -25.25 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 22.8 m -87.64 -40.75 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.703 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.86 134.1 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.656 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.55 -2.3 26.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.88 -44.82 84.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -71.88 -6.6 42.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLU . 50.0 m95 -91.61 -86.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.605 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.3 mt-10 37.16 89.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.418 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 92' ' ' ASN . 2.4 m120 -50.97 -41.77 59.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.636 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.605 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -141.25 143.01 33.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.97 -34.97 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.611 HD11 ' OH ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -48.98 -55.08 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.428 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 95.4 mt-10 -61.35 -34.28 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 22.0 m -63.76 -46.4 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.12 93.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.56 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 2.3 mmt -55.3 -38.9 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.668 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -68.81 -37.72 79.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -57.44 -43.17 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.734 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.73 -37.42 87.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.68 -33.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -62.52 -54.51 38.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.714 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 77.0 t -64.14 -35.03 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -55.76 -62.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.697 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.24 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.754 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.4 -35.19 51.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -96.62 -53.77 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -54.07 -33.84 58.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.574 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -25.94 35.1 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -66.15 168.31 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 59.04 -121.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.54 1.77 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.02 28.79 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.411 ' NZ ' ' CB ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -45.4 -24.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -59.11 -34.21 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -146.74 -169.28 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' B' ' 29' ' ' SER . 3.2 tt -135.67 116.55 14.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.426 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.581 ' N ' HD23 ' B' ' 28' ' ' LEU . 8.0 t -51.36 138.18 21.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.719 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -64.59 -45.71 85.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -43.82 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.405 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -68.38 -27.71 66.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.521 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' B' ' 77' ' ' LEU . 6.6 tp -63.81 -30.95 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -56.36 -36.06 68.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.9 mt-10 -82.79 -45.15 14.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.42 -43.61 71.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.05 -50.25 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' NE2' ' SD ' ' B' ' 58' ' ' MET . 4.0 mt-30 -78.58 -44.48 24.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.824 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' B' ' 39' ' ' THR . 24.3 m -40.07 -43.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.609 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -91.02 -48.38 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.36 35.8 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.694 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -65.37 -54.07 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.56 99.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -58.03 -39.21 77.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.809 0.338 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.53 -30.17 69.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -68.03 -3.4 10.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.77 97.12 2.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -144.38 107.81 4.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.84 -49.73 75.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -99.1 109.13 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.573 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.84 -14.27 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -57.88 -44.18 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.24 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -56.85 -47.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.514 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -66.38 -33.96 76.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.82 -34.84 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.1 t -82.82 -40.13 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.589 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 13.1 mmt -61.03 -42.78 99.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -25.37 58.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.74 -49.44 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.477 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 64' ' ' ASN . 12.5 mt -72.4 -26.77 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.58 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -52.33 -72.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.2 m120 -91.89 155.59 18.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.564 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.44 -45.78 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -61.91 -15.07 40.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.98 178.33 12.91 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.81 170.43 15.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.814 0.34 . . . . 0.0 110.507 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.12 158.89 22.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.463 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -92.91 174.97 6.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.632 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.16 -47.41 86.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.408 ' O ' HG23 ' B' ' 76' ' ' VAL . 13.9 pt20 -55.96 -44.31 78.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.61 -43.52 56.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.616 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.607 ' OH ' HD11 ' A' ' 4' ' ' LEU . 6.4 t80 -61.2 -34.57 75.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.344 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 79' ' ' ALA . 43.1 t -73.41 -25.54 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 60.7 t -72.52 -51.86 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' B' ' 33' ' ' LEU . 12.8 mt -55.75 -59.46 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.474 ' O ' ' OG1' ' B' ' 82' ' ' THR . 27.5 m -45.34 -34.88 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.692 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.721 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -72.34 -37.51 68.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.713 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.19 -54.05 43.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.786 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.3 mp -59.73 -33.99 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.655 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.563 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 85.6 m -57.77 -42.15 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.688 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.27 -44.58 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.598 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.23 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.1 m -87.65 -40.76 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -76.93 134.12 39.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -103.47 -2.38 26.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.84 -44.83 84.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.515 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -71.93 -6.64 43.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' B' ' 91' ' ' GLU . 50.3 m95 -91.56 -86.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.3 mt-10 37.09 89.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.44 HD22 ' N ' ' B' ' 92' ' ' ASN . 2.4 m120 -50.93 -41.79 59.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.613 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -71.85 -14.44 61.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.761 0.315 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.17 -31.06 65.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD11 ' OH ' ' B' ' 74' ' ' TYR . 8.1 tt -45.47 -57.83 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.477 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -53.11 -39.74 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.6 m -63.94 -35.7 81.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.47 90.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.1 -34.27 73.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.4 m -61.98 -44.73 96.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.09 -42.96 91.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.75 -36.22 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.3 -54.15 47.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -64.43 -45.46 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.552 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.66 -40.17 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -59.0 -37.08 76.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.9 -43.16 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.94 5.17 41.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -54.81 -32.82 60.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.33 162.03 35.15 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -150.74 -84.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.78 -172.96 44.7 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 57.61 45.24 19.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.52 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 11.4 ttmm -76.4 66.01 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 49.3 m-85 -160.36 -10.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.597 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 26' ' ' TYR . 20.7 pttp -172.68 -173.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.06 149.92 52.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.35 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 t -104.44 147.61 27.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.382 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CD ' ' H ' ' A' ' 30' ' ' LYS . 3.4 mptp? -42.66 -34.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.451 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.32 -48.92 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -69.09 -40.73 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 69' ' ' VAL . 47.1 tp -52.82 -36.63 58.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -63.33 -43.71 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.426 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 87.0 tt0 -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.6 tp -83.38 -43.1 16.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.03 -39.92 83.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.077 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' A' ' 42' ' ' SER . 1.9 pt20 -76.67 -45.25 30.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.985 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 30.7 m -56.93 -43.49 81.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.971 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -70.59 -49.92 42.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -86.87 8.08 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.668 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 38' ' ' GLN . 84.8 p -41.87 -30.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -45.17 9.06 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.74 -42.35 95.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.7 -28.58 34.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.462 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.07 -33.81 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.36 121.62 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.74 115.63 7.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.36 -40.99 96.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -114.57 75.13 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -69.63 -14.89 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -56.65 -40.49 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . . . -71.76 -55.25 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 t -46.81 -32.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.31 -27.07 47.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 80.8 tttt -72.41 -38.02 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.608 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 m -83.16 -31.4 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -46.06 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -30.99 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -59.48 -42.08 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 64' ' ' ASN . 53.7 mt -66.27 -30.58 71.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.19 -46.14 89.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.21 -37.04 77.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 61' ' ' LEU . 31.3 m120 -87.72 162.51 17.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.07 -58.73 0.04 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.72 -30.54 68.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.75 175.29 27.07 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.48 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG21 HD22 ' A' ' 33' ' ' LEU . 6.5 m -132.86 174.97 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -121.3 179.51 4.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.74 -48.88 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.798 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.25 -43.92 83.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.55 -34.62 74.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.654 ' OH ' HD11 ' B' ' 4' ' ' LEU . 1.0 OUTLIER -69.89 -27.31 64.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.276 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' B' ' 79' ' ' ALA . 44.9 t -76.61 -25.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.726 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' B' ' 76' ' ' VAL . 59.1 t -71.65 -52.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.061 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 33' ' ' LEU . 14.0 mt -55.49 -59.15 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.999 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.9 m -45.29 -34.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.44 -32.28 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.754 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -70.98 -52.04 22.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -58.05 -37.57 74.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.7 m -55.56 -42.89 75.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.648 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.33 -46.77 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.742 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.24 89.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.22 -30.79 65.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.608 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -94.39 118.75 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.55 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -96.45 -1.59 47.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.04 -43.02 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -63.79 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -69.22 96.08 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.28 147.31 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 10.1 p-10 -154.67 36.17 0.41 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.557 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.542 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -71.7 -14.56 62.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 110.698 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.15 -31.05 64.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.654 HD11 ' OH ' ' A' ' 74' ' ' TYR . 8.1 tt -45.47 -57.97 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.96 -39.74 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 26.4 m -63.93 -35.77 81.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.47 91.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.8 mmm -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -62.21 -39.37 92.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.3 m -61.92 -44.71 96.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.18 -42.97 92.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.0 mt -69.67 -36.28 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -61.41 -54.04 48.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.646 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.49 -45.32 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.66 -40.19 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.01 -37.14 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -43.19 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.773 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.87 5.11 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.775 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t -54.66 -32.9 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.32 161.97 35.09 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -150.76 -83.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.699 0.285 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.76 -172.9 44.64 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 57.52 45.27 19.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 11.3 ttmm -76.39 65.85 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 49.5 m-85 -160.22 -10.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -172.68 -173.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.559 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.08 149.86 52.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.426 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.5 t -104.31 147.56 27.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.436 ' CD ' ' H ' ' B' ' 30' ' ' LYS . 3.4 mptp? -42.67 -34.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.445 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -67.31 -49.12 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.478 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.83 -40.82 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.584 HD22 HG21 ' B' ' 69' ' ' VAL . 47.3 tp -52.86 -36.61 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.28 -43.63 97.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.468 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 39' ' ' THR . 87.0 tt0 -73.08 -24.19 60.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.56 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.35 -43.09 16.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tp -68.05 -39.95 82.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.582 ' O ' ' N ' ' B' ' 42' ' ' SER . 1.9 pt20 -76.49 -45.38 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.993 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.523 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.0 m -56.89 -43.62 81.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.863 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -70.6 -49.91 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.853 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.632 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -86.8 8.01 24.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.582 ' N ' ' O ' ' B' ' 38' ' ' GLN . 84.7 p -41.76 -30.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.26 -45.13 9.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -64.72 -42.32 95.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.477 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.8 -28.47 35.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.44 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -49.2 -33.85 13.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.32 121.64 18.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -144.63 115.63 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -64.39 -40.89 96.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.565 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -114.7 75.14 0.91 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.72 -14.79 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -56.63 -40.53 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' B' ' 56' ' ' LYS . . . -71.72 -55.26 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.43 ' H ' HG23 ' B' ' 54' ' ' VAL . 11.7 t -46.82 -32.8 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -78.39 -27.1 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.332 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' B' ' 53' ' ' ALA . 80.8 tttt -72.38 -38.04 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.63 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.13 -31.44 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.2 mmt -71.6 -45.96 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -30.97 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.51 -42.05 91.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' B' ' 64' ' ' ASN . 53.7 mt -66.33 -30.5 70.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.24 -46.15 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.636 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.18 -37.13 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' B' ' 61' ' ' LEU . 31.3 m120 -87.58 162.46 17.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.09 -58.79 0.04 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -59.75 -30.48 68.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.718 0.295 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.73 175.28 26.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.425 ' C ' ' OE1' ' B' ' 68' ' ' GLU . 2.5 pp20? -147.69 171.55 15.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.743 0.306 . . . . 0.0 110.677 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.584 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -132.93 174.92 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.524 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -121.31 179.55 4.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.77 -48.87 79.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.728 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.4 -43.85 84.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.587 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.48 -34.61 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.471 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.646 ' OH ' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -69.88 -27.33 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.33 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.677 HG11 ' HB2' ' A' ' 79' ' ' ALA . 45.1 t -76.51 -25.54 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 76' ' ' VAL . 59.6 t -71.54 -53.05 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.523 ' CD1' HD21 ' B' ' 33' ' ' LEU . 13.9 mt -55.41 -59.09 5.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.098 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -45.34 -34.53 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.48 -32.19 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.664 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -71.03 -51.98 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -58.17 -37.51 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -55.45 -42.99 75.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.628 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.26 -46.87 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.742 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.33 89.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.672 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 98.0 m -72.15 -30.85 65.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -94.51 118.76 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -96.39 -1.63 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.661 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -61.99 -43.03 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.9 -31.72 73.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -69.41 96.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -146.3 147.35 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 10.1 p-10 -154.73 36.24 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.544 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 1' ' ' GLY . 46.3 t 44.42 99.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.09 -28.59 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' B' ' 11' ' ' LEU . 43.8 tp -46.11 -54.28 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -55.37 -38.21 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 m -65.99 -33.08 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.7 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mmm -48.9 -40.33 29.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.04 -35.33 79.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.9 m -63.33 -46.84 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' B' ' 4' ' ' LEU . 12.9 mt -58.9 -42.31 89.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.669 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.67 -39.32 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.6 -49.12 78.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.78 -41.27 91.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' CE2' ' CB ' ' A' ' 19' ' ' SER . 21.0 t80 -59.4 -42.2 91.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.86 -29.53 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.695 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.81 -58.05 4.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.522 ' CD2' HD13 ' A' ' 36' ' ' LEU . 85.3 m-70 -95.55 -49.57 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.525 ' CB ' ' CE2' ' A' ' 15' ' ' PHE . 23.7 p -59.31 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.66 90.59 1.66 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -103.16 -140.21 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -68.16 -104.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.9 m-20 -65.46 68.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.696 0.284 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 27' ' ' LYS . 49.0 pttt 35.15 27.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 70.4 t80 35.03 28.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.68 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 25' ' ' LYS . 96.3 mttt 43.58 -171.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.365 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -137.5 107.96 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.84 152.34 29.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.59 -36.56 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -57.16 -40.11 76.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -84.96 -25.5 27.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 69' ' ' VAL . 57.6 tp -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.654 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 9.2 ptmm? -55.61 -40.4 72.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -76.11 -42.8 45.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD13 ' CD2' ' A' ' 18' ' ' HIS . 28.7 tp -59.85 -44.04 94.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.43 -44.33 44.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.723 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.45 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 m -65.5 -33.83 76.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.667 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -78.35 -50.2 12.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -82.63 16.41 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.735 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -56.79 -30.19 63.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.652 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.79 7.66 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.43 -35.36 75.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.727 0.298 . . . . 0.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.21 -28.05 50.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -89.78 14.7 11.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.05 44.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.428 HE22 HG23 ' A' ' 51' ' ' VAL . 21.9 pt20 -95.19 135.61 36.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -75.53 -45.13 39.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.52 105.71 12.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 HE22 ' A' ' 48' ' ' GLN . 14.3 p -77.99 -29.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.98 -43.3 81.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.726 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.2 90.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.41 -37.61 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.462 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -59.26 -39.72 83.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.713 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -53.04 -39.08 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.732 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.5 t -77.46 -32.31 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.743 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.86 -51.12 59.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -27.1 66.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.775 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -54.97 -41.73 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.78 -34.31 73.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.62 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.36 -38.59 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.74 -92.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.77 26.06 73.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -143.62 -16.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.44 -173.41 47.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.62 161.72 37.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG21 HD22 ' A' ' 33' ' ' LEU . 1.7 m -131.4 169.19 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.487 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -103.94 -177.32 3.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.707 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -66.36 -48.82 68.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.638 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -53.93 -36.82 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.7 -33.13 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -71.2 -24.64 62.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -76.98 -25.57 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.83 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 23.9 t -75.98 -41.13 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.838 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.01 -55.07 28.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.4 m -45.16 -35.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -74.42 -41.1 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.657 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.19 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.697 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.0 mp -67.96 -38.27 82.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.772 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' ND2' ' A' ' 86' ' ' ASN . 90.6 m -57.44 -41.83 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ALA . 99.3 t -61.53 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.34 70.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.82 -49.31 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.689 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 82' ' ' THR . 53.7 m-80 -64.41 146.47 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.38 53.74 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.4 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.476 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -60.28 -31.14 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.504 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -66.48 157.76 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.658 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.07 -122.64 0.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -144.75 0.67 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.606 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 1' ' ' GLY . 46.3 t 44.34 99.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.593 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.14 -28.54 69.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.488 ' CD1' HD23 ' A' ' 11' ' ' LEU . 43.7 tp -46.06 -54.22 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.56 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -55.53 -38.08 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -66.0 -33.06 74.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.66 19.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.0 mmm -49.02 -40.35 30.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.564 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.97 -35.3 79.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.2 m -63.38 -46.82 84.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 4' ' ' LEU . 12.9 mt -58.88 -42.35 89.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -65.66 -39.31 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.764 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.6 -49.19 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -64.76 -41.22 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.522 ' CE2' ' CB ' ' B' ' 19' ' ' SER . 21.0 t80 -59.39 -42.25 91.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -58.94 -29.51 67.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.79 -58.08 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.644 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CD2' HD13 ' B' ' 36' ' ' LEU . 85.2 m-70 -95.55 -49.62 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.522 ' CB ' ' CE2' ' B' ' 15' ' ' PHE . 23.5 p -59.37 -46.18 89.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.474 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.63 90.58 1.66 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -135.01 -52.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.511 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -103.11 -140.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' B' ' 25' ' ' LYS . . . -68.18 -104.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' B' ' 26' ' ' TYR . 82.0 m-20 -65.63 68.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' B' ' 27' ' ' LYS . 49.0 pttt 35.06 27.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 70.6 t80 35.07 28.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' B' ' 25' ' ' LYS . 96.2 mttt 43.68 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.279 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.52 107.84 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.2 t -79.8 152.31 29.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.54 -36.57 84.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -57.18 -40.11 76.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.0 -25.43 27.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.566 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.61 HD22 HG21 ' B' ' 69' ' ' VAL . 57.1 tp -57.4 -43.41 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 9.2 ptmm? -55.6 -40.4 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -76.19 -42.67 45.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' B' ' 18' ' ' HIS . 29.0 tp -59.92 -44.0 94.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.46 -44.38 44.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.37 -47.06 83.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.797 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.1 m -65.39 -33.9 77.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.652 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -78.32 -50.23 12.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -82.59 16.4 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.741 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.9 m -56.81 -30.1 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.89 -59.77 7.68 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.42 -35.54 76.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 110.649 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.06 -28.06 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -89.74 14.68 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.11 44.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.61 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.409 HE22 HG23 ' B' ' 51' ' ' VAL . 21.9 pt20 -95.23 135.6 36.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -75.46 -45.24 39.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -117.47 105.68 12.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.409 HG23 HE22 ' B' ' 48' ' ' GLN . 14.1 p -78.12 -29.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -56.97 -43.32 81.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.696 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.33 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.591 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.45 -37.49 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.31 -39.59 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -53.22 -38.96 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.704 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.54 -32.29 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.82 -51.14 59.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -55.03 -41.65 71.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.72 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.73 -34.31 73.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -57.33 -38.48 74.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.99 -43.26 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -94.67 -92.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.586 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.87 26.08 73.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -143.64 -16.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.52 -173.41 47.06 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -140.51 161.72 37.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.575 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.61 HG21 HD22 ' B' ' 33' ' ' LEU . 1.7 m -131.38 169.17 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.55 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -103.91 -177.27 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.707 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -66.61 -48.71 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -53.88 -36.97 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.65 -33.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -71.14 -24.66 62.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.535 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -76.95 -25.66 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 24.1 t -75.85 -41.23 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.02 -55.04 29.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 10.3 m -45.26 -35.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.763 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.507 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -74.44 -41.11 61.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.29 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.0 mp -67.97 -38.24 82.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.419 HG22 ' ND2' ' B' ' 86' ' ' ASN . 90.5 m -57.41 -41.82 81.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.659 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 79' ' ' ALA . 99.6 t -61.52 -40.37 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.663 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.41 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.8 -49.26 12.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' B' ' 82' ' ' THR . 53.9 m-80 -64.5 146.36 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.637 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -120.29 53.66 1.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.488 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -138.38 -46.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -60.22 -31.18 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -66.43 157.71 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -130.1 -122.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -144.76 0.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.562 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -63.37 155.28 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.35 -29.24 69.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.1 tp -53.84 -45.82 71.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.595 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.8 -36.86 85.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 m -65.73 -31.17 72.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.34 51.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.4 mmm -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.727 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -61.5 -29.17 69.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.626 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.6 m -71.63 -47.73 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.88 -44.06 81.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.64 -39.77 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.21 -47.76 78.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 71.6 t -64.93 -49.62 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.688 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.57 -46.11 91.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.557 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.19 -21.28 32.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -67.53 -54.6 18.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CG ' HD13 ' A' ' 36' ' ' LEU . 65.9 m-70 -82.61 -16.82 46.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.775 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.1 p -58.04 -29.41 65.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.12 -157.74 32.4 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 61.0 -154.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' ASP . 13.7 pt-20 -63.21 -11.21 19.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' ASP . . . -66.52 11.07 0.6 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 22' ' ' GLU . 87.3 m-20 51.83 101.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.3 -19.71 5.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.631 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -65.35 -38.0 88.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 19.7 pttm -167.23 -165.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 29' ' ' SER . 1.6 tt -136.98 112.91 9.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.211 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 28' ' ' LEU . 50.3 m -69.24 154.81 41.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.751 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 59.4 mttm -66.07 -44.57 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -48.9 -37.15 18.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.472 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.44 -20.65 29.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.98 -49.83 54.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.659 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 16.9 ptmt -41.34 -37.24 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.6 mt-10 -79.09 -48.5 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.8 tp -54.7 -43.75 72.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -59.15 -62.91 1.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' SER . 3.9 pt20 -65.55 -49.66 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.4 m -40.0 -52.73 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE2' ' CG1' ' A' ' 14' ' ' VAL . 96.3 mt-10 -74.52 -44.8 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.705 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.04 31.19 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 38' ' ' GLN . 93.3 p -64.26 -37.28 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.597 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.69 -38.64 77.55 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.46 -37.17 84.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.256 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 47' ' ' ALA . 13.4 mt -63.7 -24.99 68.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.28 16.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 45' ' ' LEU . . . -155.52 -109.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.494 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.91 102.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.11 -24.4 58.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -134.44 71.99 1.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.548 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.32 -33.58 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.2 -37.42 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.43 66.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.22 -29.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.654 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -54.71 -38.35 66.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.21 -31.83 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 -37.79 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.03 -44.78 88.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.771 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -36.85 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.18 -51.94 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.97 70.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.671 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.35 -86.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -67.15 91.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.645 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.54 -19.26 18.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.75 -1.15 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.604 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.94 -176.24 51.02 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -143.97 166.72 24.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.542 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 4.4 m -141.25 150.81 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 16.5 t70 -96.64 -174.84 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.538 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 66.6 t80 -61.56 -57.0 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.736 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.64 -35.91 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 76' ' ' VAL . 41.1 mt-10 -64.09 -35.79 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 8.6 t80 -73.38 -23.13 60.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.291 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' B' ' 79' ' ' ALA . 48.4 t -81.65 -25.5 9.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.515 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -79.59 -28.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.781 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.8 -52.83 13.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.312 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.4 m -49.55 -35.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.527 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -70.48 -36.52 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.672 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.33 70.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -65.6 -35.83 81.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.641 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -59.87 -42.25 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' ALA . 88.9 t -61.21 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.4 -32.92 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -69.49 -37.03 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' CG ' ' N ' ' A' ' 87' ' ' ASN . 24.3 t-20 -71.8 172.58 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' N ' ' CG ' ' A' ' 86' ' ' ASN . 47.0 t-20 -141.85 -5.6 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -76.9 -49.16 16.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -54.89 -43.15 72.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.76 -29.89 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 55.48 102.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.87 -35.45 68.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.676 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -63.5 155.22 29.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.21 -29.33 69.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.82 -45.84 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.74 -36.91 85.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.1 m -65.78 -31.18 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.63 -51.47 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -58.57 -38.16 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.767 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -61.41 -29.3 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 90.2 m -71.57 -47.65 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.96 -44.17 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.628 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.6 -39.65 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.39 -47.72 78.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' OE2' ' B' ' 40' ' ' GLU . 71.4 t -65.0 -49.48 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.714 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -60.64 -46.06 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -57.16 -21.4 32.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.716 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -67.44 -54.53 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.438 ' CG ' HD13 ' B' ' 36' ' ' LEU . 65.7 m-70 -82.69 -16.76 46.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 p -58.08 -29.44 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.553 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.02 -157.82 32.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt 60.9 -154.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' B' ' 24' ' ' ASP . 13.8 pt-20 -63.15 -11.2 18.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.62 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' B' ' 24' ' ' ASP . . . -66.53 11.03 0.6 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' B' ' 22' ' ' GLU . 87.6 m-20 51.81 101.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.528 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -54.37 -19.59 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -65.4 -38.0 88.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' ASP . 19.6 pttm -167.3 -165.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.401 HD23 ' N ' ' B' ' 29' ' ' SER . 1.6 tt -136.98 112.95 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.155 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.401 ' N ' HD23 ' B' ' 28' ' ' LEU . 50.4 m -69.28 154.69 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.778 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.435 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 59.3 mttm -66.01 -44.58 84.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -48.91 -37.07 18.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -85.55 -20.69 29.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tp -68.85 -49.97 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.67 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -41.2 -37.31 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.6 mt-10 -79.14 -48.36 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.619 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.438 HD13 ' CG ' ' B' ' 18' ' ' HIS . 28.0 tp -54.81 -43.65 73.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.31 -62.88 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.574 ' O ' ' N ' ' B' ' 42' ' ' SER . 3.9 pt20 -65.53 -49.66 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.941 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.7 m -40.06 -52.64 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.763 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.493 ' OE2' ' CG1' ' B' ' 14' ' ' VAL . 96.3 mt-10 -74.56 -44.75 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.762 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -91.08 31.18 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.574 ' N ' ' O ' ' B' ' 38' ' ' GLN . 93.4 p -64.25 -37.43 87.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -38.55 77.76 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -66.43 -37.16 84.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.538 ' C ' ' H ' ' B' ' 47' ' ' ALA . 13.3 mt -63.75 -24.98 67.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -70.35 16.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 45' ' ' LEU . . . -155.48 -109.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.506 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 64.88 102.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -58.13 -24.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -134.44 71.9 1.46 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.18 -33.73 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.564 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -51.1 -37.41 45.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.52 66.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.17 -29.69 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -54.54 -38.47 66.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -55.25 -31.88 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.586 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -82.68 -37.85 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.0 mmt -65.09 -44.67 88.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.772 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -36.79 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -52.17 -51.97 54.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.45 -32.59 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.51 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.9 -38.89 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.46 -86.46 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -67.21 91.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.623 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.45 -19.17 19.1 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -85.78 -1.13 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -81.92 -176.16 50.96 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -144.05 166.75 24.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 110.51 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.435 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 4.4 m -141.34 150.8 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 16.4 t70 -96.53 -174.85 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.54 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 66.2 t80 -61.61 -56.97 14.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.67 -35.87 44.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.705 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.481 ' O ' HG12 ' B' ' 76' ' ' VAL . 41.0 mt-10 -64.08 -35.8 81.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 8.5 t80 -73.29 -23.32 60.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -81.43 -25.64 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.483 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 73' ' ' GLU . 1.0 OUTLIER -79.48 -28.36 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.805 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.82 -52.87 13.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.857 0.36 . . . . 0.0 110.305 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.5 m -49.39 -35.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.59 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -70.32 -36.6 74.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.674 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.74 -51.45 69.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -65.55 -35.8 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.632 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -60.0 -42.23 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' ALA . 88.6 t -61.26 -42.26 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.41 -33.02 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -69.42 -37.0 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 88' ' ' PHE . 24.3 t-20 -71.77 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.415 ' N ' ' CG ' ' B' ' 86' ' ' ASN . 47.0 t-20 -141.93 -5.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.641 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 61.7 t80 -77.0 -49.2 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -54.81 -43.16 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.602 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -60.89 -29.82 69.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.561 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 55.46 102.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.91 -35.45 69.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.635 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.567 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.35 17.56 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.487 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -49.83 -24.68 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.38 -49.39 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.94 96.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.473 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -57.05 -42.57 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.684 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.79 84.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.565 ' SD ' ' OG1' ' B' ' 82' ' ' THR . 1.9 mmt -58.38 -38.55 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.02 -38.07 87.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.5 m -64.28 -44.52 91.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.57 -44.36 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.14 -30.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.65 -53.16 45.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 91.8 t -65.09 -48.01 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' A' ' 19' ' ' SER . 60.7 t80 -56.48 -43.55 79.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -66.13 -18.23 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.22 -52.05 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 97.5 m-70 -92.64 -48.06 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.535 ' CB ' ' CE1' ' A' ' 15' ' ' PHE . 12.8 t -57.97 -30.67 66.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -50.17 -107.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 47.3 mttp 57.45 160.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.888 0.375 . . . . 0.0 110.641 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.86 148.27 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.568 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 94.93 -171.56 30.16 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 26' ' ' TYR . 49.5 m-20 -67.89 70.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.618 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 27' ' ' LYS . 39.0 mmtm 51.58 13.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 87.4 t80 41.86 17.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' LYS . 38.9 mttm 46.55 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.68 107.97 6.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.189 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.0 p -72.74 159.96 32.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.63 -32.63 72.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.74 -47.89 83.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -69.33 -33.86 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.389 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 69' ' ' VAL . 31.4 tp -56.35 -40.52 74.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -55.55 -37.88 68.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -80.98 -51.06 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.2 tp -51.69 -46.26 63.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.75 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.71 -62.85 1.37 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.05 -38.2 90.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.932 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -43.29 -51.93 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.798 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' CB ' HD12 ' B' ' 4' ' ' LEU . 79.0 mm-40 -82.64 -46.59 13.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.12 37.37 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.588 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 43' ' ' GLY . 6.2 p -66.89 -57.67 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' N ' ' OG ' ' A' ' 42' ' ' SER . . . -60.38 -29.85 70.03 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.54 -40.9 89.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.26 -37.25 82.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -46.97 -22.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.62 121.62 16.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.457 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.82 115.32 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -64.96 -28.15 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -142.8 79.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.484 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.77 -32.62 49.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.55 -39.73 61.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.96 -41.31 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.93 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.83 -36.52 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -60.98 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.98 -39.93 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.645 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.64 -44.94 95.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -20.2 60.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.668 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -65.83 -42.61 90.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 64' ' ' ASN . 50.5 mt -71.68 -33.61 68.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.52 -36.21 75.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.94 -71.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.687 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 64' ' ' ASN . 1.3 m-80 -84.0 162.42 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.37 -31.14 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.308 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 174.29 4.59 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.34 138.07 29.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.785 0.326 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 33' ' ' LEU . 6.7 m -97.76 178.26 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.1 t0 -121.31 -169.45 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.468 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.6 t80 -69.75 -50.41 43.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.37 -42.96 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.2 -37.37 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.677 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' B' ' 4' ' ' LEU . 21.3 t80 -68.41 -25.9 65.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.267 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' B' ' 75' ' ' VAL . 53.7 t -81.39 -25.52 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.999 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' B' ' 76' ' ' VAL . 61.6 t -75.69 -40.29 40.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.753 0.311 . . . . 0.0 110.988 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 33' ' ' LEU . 83.3 mt -67.31 -55.36 14.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.476 ' O ' ' OG1' ' A' ' 82' ' ' THR . 28.7 m -45.29 -32.68 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.6 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -76.14 -41.09 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.97 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.626 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -69.36 -36.75 77.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.64 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.534 ' OG1' ' SD ' ' B' ' 8' ' ' MET . 91.8 m -53.64 -43.44 68.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ASN . 75.0 t -63.42 -41.33 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.3 88.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.6 m -72.75 -42.03 64.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 83' ' ' VAL . 22.5 t-20 -83.91 150.31 25.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.498 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.578 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 44.2 t30 -134.71 77.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 87' ' ' ASN . 91.4 m-85 -160.64 -38.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -77.85 -5.64 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.479 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -63.17 136.27 57.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -102.34 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.584 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -70.1 59.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.591 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -84.39 17.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.486 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -49.81 -24.51 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.692 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.554 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.51 -49.44 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.37 -40.93 96.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.49 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.0 m -57.02 -42.6 80.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.629 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.87 85.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.534 ' SD ' ' OG1' ' A' ' 82' ' ' THR . 1.9 mmt -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -66.0 -38.09 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 87.0 m -64.24 -44.58 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.657 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -44.38 97.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.08 -30.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -65.64 -53.09 46.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.1 t -65.2 -48.0 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.538 ' CE1' ' CB ' ' B' ' 19' ' ' SER . 60.5 t80 -56.44 -43.55 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -66.22 -18.12 65.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -59.21 -52.06 67.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.464 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 97.4 m-70 -92.71 -47.98 6.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.538 ' CB ' ' CE1' ' B' ' 15' ' ' PHE . 12.8 t -57.98 -30.6 66.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -50.17 -107.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' B' ' 18' ' ' HIS . 47.4 mttp 57.47 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.688 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -64.86 148.24 51.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.86 -171.48 30.19 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' B' ' 26' ' ' TYR . 49.4 m-20 -67.9 70.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 110.627 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 27' ' ' LYS . 39.0 mmtm 51.52 13.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.566 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 87.5 t80 41.87 17.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' B' ' 25' ' ' LYS . 39.1 mttm 46.61 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -136.67 107.9 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.2 p -72.73 159.78 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -68.58 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -58.69 -47.9 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -69.39 -33.92 73.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.391 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.509 HD22 HG21 ' B' ' 69' ' ' VAL . 31.5 tp -56.24 -40.64 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.452 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -55.53 -37.94 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 54.5 tt0 -80.93 -51.03 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.1 tp -51.71 -46.27 63.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.702 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.81 -62.76 1.43 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.11 -38.23 90.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 93.5 m -43.24 -52.01 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 4' ' ' LEU . 79.0 mm-40 -82.69 -46.52 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.2 37.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.566 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' B' ' 43' ' ' GLY . 6.2 p -66.79 -57.73 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.657 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.476 ' N ' ' OG ' ' B' ' 42' ' ' SER . . . -60.41 -29.88 70.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.62 -40.8 88.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.448 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.37 -37.18 82.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.686 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -46.93 -22.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.416 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.64 121.57 16.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -139.83 115.38 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -65.04 -28.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.419 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -142.81 79.46 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.66 -32.79 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.629 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.46 -39.68 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.14 -41.15 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -41.07 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -52.81 -36.59 58.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -60.91 -36.19 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.648 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -79.04 -39.89 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.7 mmt -62.62 -44.97 94.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -20.31 61.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.689 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -65.68 -42.73 90.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.604 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' B' ' 64' ' ' ASN . 50.7 mt -71.65 -33.6 69.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -59.64 -36.09 75.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.88 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.466 HD22 ' N ' ' B' ' 64' ' ' ASN . 1.3 m-80 -84.13 162.39 20.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.57 -44.55 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -63.34 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.519 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.94 174.18 4.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -143.28 138.09 29.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.764 0.316 . . . . 0.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.509 HG21 HD22 ' B' ' 33' ' ' LEU . 6.6 m -97.87 178.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.504 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.1 t0 -121.26 -169.41 1.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.9 t80 -69.8 -50.44 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -55.38 -43.03 74.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.702 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -56.19 -37.33 69.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.692 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.567 ' OH ' HD11 ' A' ' 4' ' ' LEU . 20.8 t80 -68.35 -25.98 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.315 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 75' ' ' VAL . 54.0 t -81.24 -25.63 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 76' ' ' VAL . 61.8 t -75.57 -40.36 40.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.029 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.426 ' CD1' HD21 ' B' ' 33' ' ' LEU . 83.4 mt -67.19 -55.37 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.472 ' O ' ' OG1' ' B' ' 82' ' ' THR . 28.4 m -45.36 -32.67 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -76.09 -41.14 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.86 74.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.598 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -69.4 -36.77 77.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.664 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.565 ' OG1' ' SD ' ' A' ' 8' ' ' MET . 86.8 m -53.5 -43.59 68.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' B' ' 86' ' ' ASN . 74.5 t -63.28 -41.43 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.595 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.33 88.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.83 -42.07 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' B' ' 83' ' ' VAL . 22.6 t-20 -83.94 150.36 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.454 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.58 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 44.2 t30 -134.75 77.23 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' B' ' 87' ' ' ASN . 91.2 m-85 -160.7 -38.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 1.2 m-85 -77.88 -5.57 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -63.11 136.2 57.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.605 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -102.27 -179.6 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.614 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 p-10 -69.99 59.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.587 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.598 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.7 m -62.81 -13.49 34.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.569 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 57.6 mp0 -51.45 -28.97 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.1 tt -44.77 -60.24 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 96.2 mt-10 -60.66 -35.67 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.82 -35.84 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -42.87 95.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.82 -35.43 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.54 -29.37 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.3 m -74.92 -41.33 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.19 -46.36 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.52 -28.54 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -58.83 -53.14 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.75 -44.78 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.47 -45.87 76.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.43 -29.05 69.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.634 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.82 98.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 36' ' ' LEU . 96.0 m-70 -86.96 -22.45 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 44.3 p -63.86 -30.19 71.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 79.29 1.07 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -153.61 -56.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.02 -54.43 18.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.69 7.1 0.05 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.7 m-20 -139.91 121.75 15.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.66 28.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 27' ' ' LYS . 42.6 p90 -146.76 -32.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 15.4 ttpp -93.42 142.2 27.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.637 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' SER . 2.3 tt -137.97 120.04 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.599 ' N ' HD23 ' A' ' 28' ' ' LEU . 59.7 p -69.46 149.26 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.839 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.58 -43.42 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.15 -35.13 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.68 -25.67 26.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.335 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.9 tp -58.05 -57.33 13.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 5.8 ptmm? -40.04 -43.0 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 36' ' ' LEU . 3.9 tm-20 -71.53 -46.1 60.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 29.7 tp -58.97 -40.16 83.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.35 -57.51 10.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.988 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 2.4 pt20 -70.08 -45.12 67.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.6 m -42.15 -51.95 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.947 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -82.44 -49.65 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.51 25.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -62.49 -28.13 69.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.736 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.18 -41.11 12.38 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.466 ' CE1' ' CD ' ' B' ' 5' ' ' GLU . 3.1 m-85 -59.84 -43.66 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.423 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.43 -26.22 52.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.05 -33.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.515 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.57 123.98 20.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.458 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.49 93.54 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.51 -40.08 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.0 77.17 1.22 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.461 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.04 -15.17 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -42.01 76.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.707 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.04 -38.28 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.4 -23.75 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.624 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -75.94 -32.1 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.53 -39.91 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.777 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.0 m -81.84 -35.9 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.71 -45.35 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -27.84 66.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.602 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.67 -42.89 93.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 64' ' ' ASN . 26.6 mt -73.31 -25.88 60.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -61.84 -42.1 98.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.73 -51.13 10.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' O ' ' A' ' 61' ' ' LEU . 19.9 m120 -89.82 134.79 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.62 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.34 -33.32 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 66' ' ' ASP . 55.6 p30 -87.76 9.47 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.34 -175.51 43.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.06 167.5 22.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.729 0.299 . . . . 0.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.92 154.55 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.65 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -95.75 178.47 5.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.615 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.38 -49.47 77.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 pt20 -55.79 -45.84 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -38.48 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' B' ' 4' ' ' LEU . 11.8 t80 -70.02 -25.02 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.3 t -78.91 -25.42 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' B' ' 76' ' ' VAL . 44.7 t -74.12 -48.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.2 mt -58.27 -57.26 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -45.35 -34.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.663 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.601 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -75.35 -40.03 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.86 82.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -71.41 -35.23 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.728 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.9 m -56.1 -42.16 76.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.98 -40.6 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.77 98.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.1 -41.52 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 82' ' ' THR . 67.2 m-20 -68.17 125.32 26.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.725 HD22 ' N ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -98.14 -10.28 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.577 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.725 ' N ' HD22 ' A' ' 87' ' ' ASN . 63.7 t80 -63.25 -39.17 93.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.648 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -62.69 -42.99 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -62.71 85.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.554 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -138.96 37.8 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' SER . 83.9 m-20 -81.57 3.3 25.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 92' ' ' ASN . 1.3 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.533 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -62.77 -13.48 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.548 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 57.6 mp0 -51.49 -28.88 14.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.499 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.1 tt -44.9 -60.04 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.543 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' CE1' ' A' ' 44' ' ' PHE . 96.3 mt-10 -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 24.2 m -63.85 -35.73 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.593 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.86 95.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.606 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.83 -35.44 76.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.755 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.52 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.608 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.9 m -74.83 -41.45 59.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.12 -46.25 85.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.71 -28.37 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.724 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -58.88 -53.14 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.683 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 91.4 t -69.86 -44.71 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.679 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -55.51 -45.88 77.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.41 -29.11 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -62.61 -40.9 98.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.682 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.475 ' CD2' HD13 ' B' ' 36' ' ' LEU . 95.9 m-70 -86.92 -22.43 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.661 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 44.2 p -63.89 -30.16 71.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.32 79.23 1.07 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -153.49 -56.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -68.0 -54.36 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.717 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.64 7.03 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 61.9 m-20 -139.9 121.73 15.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.477 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -85.7 28.73 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 27' ' ' LYS . 42.4 p90 -146.79 -32.59 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 15.4 ttpp -93.43 142.21 27.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' B' ' 29' ' ' SER . 2.3 tt -137.93 120.01 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.369 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.598 ' N ' HD23 ' B' ' 28' ' ' LEU . 59.6 p -69.44 149.24 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -66.54 -43.42 85.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -50.2 -35.13 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -85.61 -25.6 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 34' ' ' LYS . 47.1 tp -58.17 -57.24 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.609 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 5.9 ptmm? -40.09 -42.87 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' B' ' 36' ' ' LEU . 3.9 tm-20 -71.76 -45.98 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.547 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 30.3 tp -58.91 -40.23 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.43 -57.51 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 2.4 pt20 -70.06 -44.97 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.172 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.505 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.5 m -42.14 -52.05 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.924 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.45 -49.77 9.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.41 25.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.4 t -62.39 -28.24 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.731 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.19 -40.99 12.52 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.1 m-30 -59.92 -43.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.413 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 45' ' ' LEU . 96.6 mt -56.47 -26.17 53.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.553 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -43.15 -32.99 0.81 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.64 124.02 20.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -144.53 93.55 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -65.54 -40.01 92.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -106.02 77.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.03 -15.11 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -56.18 -42.08 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.33 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.46 -23.63 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -76.01 -32.06 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.554 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.49 -39.98 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 20.9 m -81.81 -35.84 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.717 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -67.75 -45.39 75.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -27.81 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.61 -42.91 93.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' B' ' 64' ' ' ASN . 26.7 mt -73.25 -25.93 60.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -61.79 -42.13 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.629 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -78.82 -51.05 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' LEU . 19.9 m120 -89.85 134.87 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.35 -33.33 0.09 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' B' ' 66' ' ' ASP . 55.6 p30 -87.9 9.54 21.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.37 -175.53 43.39 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -144.02 167.51 22.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 110.447 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.9 154.67 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -95.84 178.43 5.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.32 -49.49 77.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.424 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.1 pt20 -55.73 -45.94 77.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.72 -38.48 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.442 ' OH ' HD11 ' A' ' 4' ' ' LEU . 11.8 t80 -69.95 -25.02 63.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.354 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.601 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.1 t -78.85 -25.6 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 76' ' ' VAL . 44.9 t -74.06 -48.53 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.991 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 48.6 mt -58.29 -57.15 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.051 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -45.52 -34.47 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.638 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -75.32 -40.15 58.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.767 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.9 82.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.2 mp -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.744 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.442 HG22 ' ND2' ' B' ' 86' ' ' ASN . 88.9 m -56.07 -42.1 76.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.723 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.96 -40.63 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.82 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 t -77.19 -41.5 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.442 ' ND2' HG22 ' B' ' 82' ' ' THR . 67.5 m-20 -68.18 125.25 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.736 HD22 ' N ' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -98.08 -10.22 24.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.736 ' N ' HD22 ' B' ' 87' ' ' ASN . 63.8 t80 -63.32 -39.08 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.67 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -62.74 -43.05 99.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -62.71 85.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -139.03 37.81 2.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' B' ' 93' ' ' SER . 83.9 m-20 -81.54 3.24 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.433 ' C ' ' O ' ' B' ' 92' ' ' ASN . 1.2 m . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -96.21 132.26 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.49 -28.14 68.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -43.88 -49.9 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.494 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.19 -41.16 92.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -59.32 -36.37 75.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' B' ' 10' ' ' THR . . . -61.75 -43.78 98.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.52 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.95 -38.6 89.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.699 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' B' ' 7' ' ' ALA . 88.1 m -64.63 -44.45 90.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.564 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.05 -43.11 99.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.2 mt -67.55 -34.73 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.24 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 -36.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.61 -49.44 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.69 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -61.56 -25.04 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.04 99.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.741 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -85.52 -35.6 21.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -53.69 -29.37 38.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -73.91 -116.49 0.08 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.72 -96.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' GLY . 50.6 tt0 -142.03 125.44 16.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.535 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.23 -157.0 27.35 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.68 -4.91 59.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.669 0.271 . . . . 0.0 110.518 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.44 27.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -160.62 -37.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.37 176.98 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -151.92 110.05 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.263 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' N ' HD13 ' A' ' 28' ' ' LEU . 45.5 t -57.0 139.81 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -61.26 -40.51 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.26 -45.54 83.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.312 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -71.39 -32.19 68.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.279 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 69' ' ' VAL . 48.7 tp -57.61 -37.72 73.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.253 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -59.93 -43.91 94.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.377 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' A' ' 39' ' ' THR . 85.8 tt0 -74.48 -45.36 46.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.513 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 18' ' ' HIS . 13.9 tp -57.88 -61.38 2.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.417 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 81' ' ' LEU . 5.1 tp -51.78 -56.78 11.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.803 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' SER . 6.6 tt0 -58.77 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.0 m -46.35 -49.17 18.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -77.59 -50.33 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -76.29 13.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.552 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 38' ' ' GLN . 24.2 m -57.72 -40.02 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.63 64.31 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -62.96 -44.98 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 17.3 mt -59.26 -17.02 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.679 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.85 -39.06 90.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.78 -81.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 45' ' ' LEU . 14.9 mt-30 62.94 167.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.813 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 63.1 tttm -148.16 -15.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 94.7 m-20 -140.85 76.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.57 -9.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.52 -45.06 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.72 -50.44 8.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' NE2' ' A' ' 48' ' ' GLN . 43.4 t -45.4 -46.13 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.409 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.4 -37.81 83.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.6 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.2 -36.11 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -81.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.5 mmt -64.01 -40.84 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.75 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.17 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.481 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.5 -41.29 80.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 64' ' ' ASN . 56.6 mt -68.48 -29.93 68.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.539 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.07 -59.22 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' LEU . 29.4 m120 -91.59 163.18 14.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.41 -46.67 0.02 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.548 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.07 175.65 27.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.07 167.25 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.5 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 33' ' ' LEU . 2.7 m -122.33 -175.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.527 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.06 -177.81 3.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.12 -56.46 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.26 -40.55 25.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.579 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.84 -40.98 97.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.732 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' B' ' 4' ' ' LEU . 2.4 t80 -62.22 -26.95 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.174 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' B' ' 75' ' ' VAL . 42.5 t -78.95 -25.56 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.764 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' B' ' 76' ' ' VAL . 63.6 t -73.97 -43.36 52.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.735 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.74 -57.94 10.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.818 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.58 -40.01 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.668 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.22 -41.9 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.16 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.703 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 37' ' ' LEU . 59.4 mt -68.94 -36.64 78.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.657 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -61.28 -44.19 97.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.638 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.55 -46.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.99 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.27 -47.64 64.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.647 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -71.98 160.65 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -137.02 -1.03 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -64.56 -40.41 95.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -68.55 -38.18 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' A' ' 91' ' ' GLU . 55.4 m95 -60.71 -36.04 77.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.781 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 90' ' ' TRP . 97.4 mt-10 -35.12 -76.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.622 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.58 44.83 28.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.567 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -96.19 132.32 41.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 110.6 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.56 -28.1 68.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.511 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -43.85 -50.0 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.12 -41.11 91.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -59.3 -36.51 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.484 ' HB2' ' HB ' ' A' ' 10' ' ' THR . . . -61.69 -43.71 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 54.1 mmm -63.58 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.713 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -62.09 -38.44 88.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.701 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 7' ' ' ALA . 90.2 m -64.8 -44.33 90.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.1 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -67.52 -34.75 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -62.29 -43.03 99.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.634 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.68 -36.13 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -71.64 -49.36 40.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -61.58 -25.1 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.723 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.3 m-70 -85.38 -35.69 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.647 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m -53.63 -29.42 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.87 -116.37 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp 46.52 -96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 0.0 110.434 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -142.03 125.45 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.2 -157.12 27.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -84.53 -4.87 59.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.752 0.31 . . . . 0.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm 57.63 39.38 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -160.59 -37.58 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -97.33 176.83 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.621 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -151.77 110.06 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.44 ' N ' HD13 ' B' ' 28' ' ' LEU . 45.4 t -56.86 139.93 49.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -57.24 -45.54 83.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -71.38 -32.26 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 69' ' ' VAL . 48.5 tp -57.44 -37.78 73.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.322 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -59.94 -43.87 94.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' B' ' 39' ' ' THR . 85.8 tt0 -74.51 -45.4 46.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' B' ' 18' ' ' HIS . 13.9 tp -57.73 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.591 HD21 HD11 ' B' ' 81' ' ' LEU . 5.1 tp -51.72 -56.73 12.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' B' ' 42' ' ' SER . 6.6 tt0 -58.91 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 18.1 m -46.37 -49.26 18.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -77.53 -50.27 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.777 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.543 HD22 ' N ' ' B' ' 41' ' ' LEU . 3.4 mm? -76.22 13.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.528 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.529 ' N ' ' O ' ' B' ' 38' ' ' GLN . 24.5 m -57.65 -39.89 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.54 -49.61 63.81 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -63.06 -44.96 94.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.407 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 17.5 mt -59.24 -17.01 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.84 -39.06 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -90.87 -80.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' B' ' 45' ' ' LEU . 15.0 mt-30 62.81 167.14 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.786 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.476 ' O ' ' OD1' ' B' ' 50' ' ' ASP . 63.1 tttm -148.14 -15.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 94.4 m-20 -140.87 76.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.45 -9.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.49 -45.02 92.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.703 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.8 -50.57 8.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.404 HG21 ' NE2' ' B' ' 48' ' ' GLN . 43.1 t -45.28 -46.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.39 -37.85 83.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.13 -36.06 72.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -82.05 -42.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.4 mmt -64.13 -40.69 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.751 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' B' ' 63' ' ' GLU . 0.2 OUTLIER -73.06 -21.19 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -68.43 -41.4 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.584 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' B' ' 64' ' ' ASN . 56.6 mt -68.43 -29.96 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.38 -36.87 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.656 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' B' ' 59' ' ' LYS . 96.3 mt-10 -63.01 -59.19 5.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.651 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 61' ' ' LEU . 29.5 m120 -91.75 163.25 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.44 -46.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.17 -34.48 73.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.345 . . . . 0.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.04 175.63 27.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.06 167.13 24.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.612 HG21 HD22 ' B' ' 33' ' ' LEU . 2.6 m -122.29 -175.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.513 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -125.13 -177.75 3.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.23 -56.32 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -48.36 -40.46 25.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.85 -41.09 97.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.583 ' OH ' HD11 ' A' ' 4' ' ' LEU . 2.5 t80 -62.18 -26.91 68.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.227 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 75' ' ' VAL . 42.4 t -78.97 -25.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.75 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 76' ' ' VAL . 63.3 t -73.84 -43.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.78 -57.82 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -45.65 -40.08 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -41.95 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.11 98.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.591 HD11 HD21 ' B' ' 37' ' ' LEU . 59.1 mt -68.95 -36.67 78.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.638 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.2 m -61.28 -44.12 97.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.5 -46.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.566 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.19 -35.97 81.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.7 t -69.38 -47.65 63.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -71.97 160.59 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -136.91 -1.11 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.44 -40.41 95.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -68.52 -38.26 80.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.449 ' O ' ' C ' ' B' ' 91' ' ' GLU . 55.3 m95 -60.69 -36.01 77.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' B' ' 90' ' ' TRP . 97.4 mt-10 -35.21 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 54.54 44.81 28.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.582 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.518 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.632 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -80.9 157.28 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.04 -35.24 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD11 HD23 ' B' ' 11' ' ' LEU . 58.9 tp -52.16 -58.53 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.59 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' CD ' ' CE1' ' B' ' 44' ' ' PHE . 98.4 mt-10 -60.42 -38.61 84.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -34.66 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.22 84.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.648 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mmm -51.68 -33.03 32.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.599 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.7 -34.88 75.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.2 m -67.73 -46.82 71.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 HD11 ' B' ' 4' ' ' LEU . 13.4 mt -60.19 -42.38 94.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.603 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.26 -33.09 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.578 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -61.34 -43.05 99.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.689 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.95 -51.85 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.696 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -59.22 -44.32 92.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -65.53 -27.45 68.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.97 -44.53 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.707 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -87.38 5.64 37.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.5 p -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.68 165.64 20.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.23 83.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 55.88 43.99 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.44 -115.06 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 47.8 p30 -82.64 71.66 9.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.685 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.2 2.22 28.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -64.85 -43.99 91.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -166.96 177.14 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.715 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 tp -104.34 130.46 52.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -81.92 155.34 25.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.02 -43.59 91.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.704 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -55.59 -47.8 75.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.619 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.43 -33.86 70.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.639 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -55.59 -45.08 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 39' ' ' THR . 98.2 mt-10 -73.07 -45.87 54.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.617 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD13 ' CG ' ' A' ' 18' ' ' HIS . 27.1 tp -54.64 -43.85 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.91 -65.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.576 ' O ' ' N ' ' A' ' 42' ' ' SER . 9.6 pt20 -61.56 -46.08 91.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 20.6 m -41.85 -47.84 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -85.06 -44.66 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.764 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.2 mp -84.98 22.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.576 ' N ' ' O ' ' A' ' 38' ' ' GLN . 28.0 t -57.46 -40.71 79.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.495 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.1 -43.23 90.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.56 -41.5 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.36 -14.69 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.89 -28.21 55.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 93.0 2.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.5 82.95 1.8 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -56.99 -12.7 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -140.28 65.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 52' ' ' ASP . 9.5 p -53.22 -37.78 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 51' ' ' VAL . 78.5 m-20 -55.72 -38.32 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.44 -28.49 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.27 -29.36 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.1 -44.95 94.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.28 -35.96 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.668 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.8 t -78.61 -42.78 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.11 -44.86 90.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -20.46 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.674 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.85 -42.85 85.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.526 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.9 mt -70.14 -33.84 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.14 -36.08 74.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -50.49 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -97.34 131.48 43.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.22 3.05 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.28 -14.62 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.42 -177.79 38.4 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.54 -177.96 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -141.49 -168.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 40.1 t0 -135.21 178.12 7.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -58.79 -55.98 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' VAL . 8.2 pt20 -52.62 -40.55 62.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' OE2' ' N ' ' A' ' 70' ' ' ASP . 46.1 mt-10 -58.58 -34.69 71.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 11.5 t80 -73.75 -22.71 59.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.473 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.7 t -78.82 -25.53 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 72' ' ' GLN . 14.7 t -74.8 -47.46 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.769 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.47 -57.27 13.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.38 -31.15 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -80.47 -35.85 34.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.36 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.1 mp -63.42 -37.55 87.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.694 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.3 m -53.82 -39.92 65.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -72.43 -38.23 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.24 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.3 -46.89 66.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -98.0 105.7 17.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -88.73 80.87 7.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -148.6 -29.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.53 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -85.45 4.04 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.509 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -68.0 121.55 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -116.65 -93.18 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.578 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' H ' ' H ' ' A' ' 93' ' ' SER . 28.0 t30 -153.53 -16.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 92' ' ' ASN . 13.9 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.754 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -80.96 157.21 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.711 0.291 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.89 -35.24 74.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.429 HD11 HD23 ' A' ' 11' ' ' LEU . 58.6 tp -52.34 -58.46 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.564 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -38.63 84.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.63 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.5 m -61.31 -34.65 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.738 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.21 84.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -51.71 -32.96 32.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.72 -34.94 75.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 97.3 m -67.75 -46.77 71.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.433 HD23 HD11 ' A' ' 4' ' ' LEU . 13.5 mt -60.17 -42.45 95.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.11 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.32 -43.04 99.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.709 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.96 -51.86 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.25 -44.22 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -65.66 -27.42 68.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 -44.43 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.4 m-70 -87.45 5.59 38.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 93.2 p -59.73 -22.73 62.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.69 165.68 20.17 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.26 82.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 55.9 43.96 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.49 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.45 -115.05 0.42 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 47.5 p30 -82.72 71.78 9.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -81.32 2.21 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -64.85 -43.96 91.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.655 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -166.97 177.2 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.733 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 58.7 tp -104.3 130.49 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -81.92 155.31 25.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.71 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.98 -43.6 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.762 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -55.63 -47.77 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.625 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.06 -33.28 75.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.534 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.45 -33.75 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 39' ' ' THR . 98.2 mt-10 -73.01 -45.93 54.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.598 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 18' ' ' HIS . 27.4 tp -54.62 -43.81 72.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.95 -65.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' B' ' 42' ' ' SER . 9.6 pt20 -61.43 -46.07 91.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 20.3 m -41.95 -47.88 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.703 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -84.89 -44.67 12.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' B' ' 41' ' ' LEU . 9.3 mp -85.05 23.01 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.459 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.581 ' N ' ' O ' ' B' ' 38' ' ' GLN . 28.1 t -57.49 -40.7 79.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.29 90.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' CD ' ' A' ' 5' ' ' GLU . 3.0 m-85 -60.52 -41.56 94.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.728 0.299 . . . . 0.0 110.349 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.38 -14.67 52.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.478 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.96 -28.14 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.74 92.93 2.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -106.48 83.03 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -57.16 -12.62 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -140.27 65.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.437 HG13 ' N ' ' B' ' 52' ' ' ASP . 9.8 p -53.36 -37.79 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 51' ' ' VAL . 78.5 m-20 -55.6 -38.41 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.52 67.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.4 t -85.32 -29.28 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -60.17 -44.85 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.36 -35.8 40.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.77 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.66 -42.91 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.794 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.0 mmt -64.2 -44.71 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.732 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.41 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -66.89 -42.81 84.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.4 mt -70.23 -33.8 72.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.15 -36.13 74.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.39 -83.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -97.36 131.49 43.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -113.26 -29.06 3.1 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.34 -14.71 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.37 -177.67 38.0 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -145.6 -177.97 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.766 0.317 . . . . 0.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.49 -168.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' N ' ' OE2' ' B' ' 73' ' ' GLU . 40.2 t0 -135.18 178.13 7.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.402 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 39.7 t80 -58.73 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.711 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.437 ' O ' HG23 ' B' ' 76' ' ' VAL . 8.2 pt20 -52.6 -40.59 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.639 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' OE2' ' N ' ' B' ' 70' ' ' ASP . 46.1 mt-10 -58.57 -34.64 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.492 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 11.4 t80 -73.8 -22.72 59.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.7 t -78.77 -25.52 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 72' ' ' GLN . 14.7 t -74.87 -47.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.729 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.4 -57.28 13.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.949 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.37 -31.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.562 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -80.44 -35.93 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.709 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.44 69.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.1 mp -63.45 -37.52 87.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.68 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -53.88 -39.74 66.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.455 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.56 -38.13 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.621 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.06 96.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.6 m -69.36 -46.96 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.453 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.97 105.6 17.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.497 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -88.66 80.94 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -148.62 -29.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -85.42 4.04 37.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -67.97 121.62 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.604 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -116.75 -93.37 0.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -153.45 -16.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.614 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -145.86 152.18 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.481 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -66.73 -32.92 74.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -47.69 -62.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.95 -36.33 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m -68.65 -36.07 78.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -51.66 59.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.686 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 67.9 mmm -52.65 -35.12 54.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.1 mm-40 -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.4 m -65.2 -41.56 94.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.29 -38.65 87.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -71.83 -33.98 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 3.5 m-20 -58.76 -50.4 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 93.9 t -67.33 -42.5 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.79 -42.46 89.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.93 -25.12 68.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.639 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -65.86 -47.18 75.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.0 m-70 -83.1 -33.5 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.761 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.66 -25.1 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.25 -29.6 7.44 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.52 -47.79 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.55 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.0 -26.1 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.54 67.96 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' TYR . 81.1 m-20 -97.51 57.19 1.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.478 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -55.6 77.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ASP . 16.0 t80 -175.15 -32.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.27 -169.54 3.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -143.95 116.05 8.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.328 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.585 ' N ' HD13 ' A' ' 28' ' ' LEU . 35.4 t -60.45 136.05 57.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.725 ' HZ2' ' N ' ' A' ' 68' ' ' GLU . 64.2 mttp -57.01 -45.55 82.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.07 -46.07 75.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.18 -31.03 65.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.436 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 69' ' ' VAL . 45.0 tp -57.87 -31.42 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.569 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.71 -42.66 97.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -76.31 -24.99 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.6 tp -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.35 -40.68 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.197 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' CG ' ' N ' ' A' ' 39' ' ' THR . 1.7 pt20 -73.7 -44.63 55.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.125 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 40' ' ' GLU . 11.0 t -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.848 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' OE2' HD11 ' A' ' 36' ' ' LEU . 68.7 mt-10 -68.24 -50.34 54.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.697 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.22 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.596 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.4 -43.98 85.89 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -57.52 -38.38 74.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.22 -34.91 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -71.16 4.69 2.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.414 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.44 89.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -137.5 171.03 15.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -137.51 -6.07 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.16 73.04 1.41 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.71 -18.45 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 2.7 p30 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -81.09 -45.33 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.91 -48.57 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -64.32 -36.48 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -60.43 -37.48 81.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.89 -34.95 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.04 -50.07 51.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -24.23 67.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.679 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.484 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.1 mt -77.29 -32.06 55.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.04 -32.24 73.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.4 -175.57 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.69 -46.37 0.32 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.32 -24.5 67.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.562 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . . . -78.89 175.64 54.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.725 ' N ' ' HZ2' ' A' ' 30' ' ' LYS . 29.1 mp0 -142.44 174.32 10.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 110.572 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.52 HG21 HD22 ' A' ' 33' ' ' LEU . 4.4 m -139.72 170.07 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.679 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 44.0 t0 -112.48 -174.02 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 58.5 t80 -65.71 -54.08 32.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.702 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.2 pt20 -49.68 -37.58 29.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -64.61 -38.92 92.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 15.9 t80 -63.13 -27.41 69.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.335 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' B' ' 79' ' ' ALA . 41.9 t -76.93 -25.59 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.592 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.5 t -72.08 -51.52 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.9 mt -55.3 -59.76 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.927 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.73 -35.59 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.691 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.644 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -68.32 -36.3 79.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.93 67.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -63.0 -35.5 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.703 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 70.7 m -55.8 -42.74 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.31 -41.12 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.85 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.1 m -71.02 -27.3 63.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.91 143.92 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -114.14 -18.32 11.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -58.01 -42.9 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -68.27 -16.35 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -89.75 -92.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 40.48 44.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -84.28 80.18 9.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.532 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -145.83 152.15 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 110.526 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.69 -33.0 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -47.57 -62.82 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -50.14 -36.31 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 m -68.63 -36.08 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.29 -51.63 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.674 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 68.2 mmm -52.6 -35.21 53.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.476 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.2 mm-40 -66.8 -34.21 77.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 47.7 m -65.21 -41.52 94.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.23 -38.74 87.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.8 -33.94 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 3.5 m-20 -58.68 -50.44 73.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 92.3 t -67.29 -42.57 87.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -58.77 -42.46 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -63.85 -25.09 68.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.75 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -65.88 -47.21 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.8 m-70 -83.06 -33.54 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.689 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -25.06 62.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.32 -29.7 7.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.4 -47.77 82.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.627 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.05 -26.1 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.92 -9.4 68.16 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.581 ' O ' ' N ' ' B' ' 26' ' ' TYR . 81.1 m-20 -97.5 57.17 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.473 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -55.59 77.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.581 ' N ' ' O ' ' B' ' 24' ' ' ASP . 15.8 t80 -175.23 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -150.3 -169.56 3.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.58 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -143.96 116.09 8.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.354 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.58 ' N ' HD13 ' B' ' 28' ' ' LEU . 35.4 t -60.47 135.96 57.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.723 ' HZ2' ' N ' ' B' ' 68' ' ' GLU . 64.2 mttp -56.94 -45.6 82.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.603 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.97 -46.13 75.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -72.23 -31.0 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.421 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.527 HD22 HG21 ' B' ' 69' ' ' VAL . 44.7 tp -57.78 -31.49 66.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -60.74 -42.51 97.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -76.39 -24.99 54.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' B' ' 18' ' ' HIS . 37.1 tp -78.77 -33.02 46.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.006 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -77.3 -40.72 43.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.196 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' B' ' 39' ' ' THR . 1.7 pt20 -73.78 -44.5 55.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.061 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 40' ' ' GLU . 11.1 t -60.88 -42.97 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.829 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' OE2' HD11 ' B' ' 36' ' ' LEU . 68.6 mt-10 -68.26 -50.26 55.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.719 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.3 35.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.651 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -62.3 -44.33 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.32 -44.05 86.41 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.2 -34.95 72.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -71.05 4.71 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.54 89.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -137.4 171.01 15.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -137.65 -5.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -140.25 73.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.551 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.66 -18.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 2.7 p30 -54.94 -40.45 69.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.586 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -81.14 -45.23 16.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.0 -48.58 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -64.28 -36.59 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.391 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -60.34 -37.48 80.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.88 -34.89 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.0 mmt -69.14 -50.12 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.725 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -24.21 67.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -61.85 -39.1 90.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.508 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.36 -31.98 54.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.603 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.26 -48.55 80.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.689 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.06 -32.3 73.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -98.38 -175.52 3.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.63 -46.41 0.32 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.31 -24.52 67.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.605 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . . . -78.76 175.55 54.92 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.723 ' N ' ' HZ2' ' B' ' 30' ' ' LYS . 29.1 mp0 -142.37 174.32 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.527 HG21 HD22 ' B' ' 33' ' ' LEU . 4.4 m -139.66 170.11 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 44.0 t0 -112.5 -174.08 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.503 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 58.4 t80 -65.75 -54.03 32.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.674 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 76' ' ' VAL . 6.2 pt20 -49.61 -37.66 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.6 -38.85 92.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 16.1 t80 -63.15 -27.48 69.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.304 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.3 t -76.79 -25.65 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 72' ' ' GLN . 47.5 t -72.08 -51.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 64.5 mt -55.34 -59.9 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -45.6 -35.55 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.72 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.639 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -68.45 -36.2 78.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.27 -49.94 67.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.732 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -62.99 -35.58 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.655 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.1 m -55.73 -42.81 75.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.58 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.27 -41.01 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.24 -43.76 83.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 m -71.01 -27.36 63.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.583 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -89.99 143.9 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -114.08 -18.29 11.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.644 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -57.96 -42.96 86.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -68.28 -16.4 63.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -89.73 -92.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 40.53 44.91 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -84.4 80.14 9.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.07 155.71 40.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 53.0 mp0 -64.64 -31.63 72.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' CD1' HD23 ' B' ' 11' ' ' LEU . 56.1 tp -49.36 -51.77 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.86 -38.24 84.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.694 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m -65.19 -32.69 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.671 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.7 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.4 -38.82 78.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.51 -30.67 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.738 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.1 m -69.0 -48.23 63.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.804 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' B' ' 4' ' ' LEU . 13.0 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.686 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.37 -36.47 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.9 -40.98 99.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 98.3 t -70.47 -48.79 57.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.59 -46.47 83.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.737 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -61.53 -23.35 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.677 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -68.12 -52.13 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.734 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.646 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.6 m-70 -82.72 -17.17 45.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.774 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.46 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.13 -98.29 1.35 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.15 169.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.595 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.68 97.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.41 -141.58 7.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.19 120.31 25.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -97.16 45.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.604 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.36 1.8 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.23 169.66 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -99.11 122.98 43.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.288 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.643 ' N ' HD13 ' A' ' 28' ' ' LEU . 47.5 t -77.57 141.37 39.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.61 -44.31 85.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.27 -39.55 72.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.45 -24.06 32.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 69' ' ' VAL . 49.9 tp -57.82 -43.72 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -46.89 -41.59 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.5 mt-10 -73.93 -46.72 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' A' ' 18' ' ' HIS . 26.4 tp -55.63 -44.9 77.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.23 -64.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.2 pt20 -64.77 -46.68 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.008 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 19.8 m -40.1 -53.86 2.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.65 -45.88 28.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.935 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.9 mt -86.42 25.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.6 t -63.94 -16.03 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.54 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.9 -33.29 8.39 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.95 -41.66 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.87 -32.03 67.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -51.44 -25.63 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.08 118.32 10.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.7 138.95 30.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 49' ' ' LYS . 8.8 mptt -93.08 -13.82 28.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.689 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.0 t0 -140.49 118.45 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.5 t -96.03 -28.39 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -50.63 -44.6 57.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.71 -39.93 56.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.711 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 50' ' ' ASP . 45.5 t -61.55 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.441 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.77 -30.01 69.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.518 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.82 -34.83 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -81.3 -34.62 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.578 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.3 mmt -61.47 -49.31 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.727 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.51 -41.44 80.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ASN . 33.2 mt -75.27 -29.12 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.66 -38.58 72.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.76 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 61' ' ' LEU . 82.8 m-20 -90.34 172.26 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.3 -32.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -80.49 0.46 33.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.79 178.2 40.73 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 2.5 pm0 -143.48 151.71 40.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.728 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -109.38 155.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.638 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -94.48 172.92 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.19 -49.02 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.681 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.32 -42.74 78.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.97 -39.08 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.46 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -65.24 -29.28 70.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' B' ' 75' ' ' VAL . 43.0 t -75.52 -25.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.72 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' B' ' 76' ' ' VAL . 53.5 t -76.02 -39.42 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.14 -56.04 13.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.928 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -45.4 -42.78 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.728 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.55 -37.0 79.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.758 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.32 84.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -75.12 -35.75 61.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 86' ' ' ASN . 93.5 m -56.2 -43.61 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.55 -46.65 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.53 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.583 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.73 -37.39 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 82' ' ' THR . 82.8 m-20 -85.18 122.95 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.626 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -94.93 0.88 55.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -62.49 -47.23 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -61.97 -30.53 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -82.05 -173.25 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 46.68 90.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -76.96 -0.36 24.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.577 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -72.05 155.68 40.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 53.0 mp0 -64.59 -31.59 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 11' ' ' LEU . 55.8 tp -49.39 -51.71 33.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.82 -38.34 85.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.639 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 19.6 m -65.19 -32.75 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.76 -46.69 84.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.744 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 mmm -58.43 -38.86 78.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.46 -30.62 70.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.742 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -69.05 -48.3 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.722 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 4' ' ' LEU . 13.2 mt -58.29 -42.27 86.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.3 -36.52 76.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.83 -41.01 99.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 97.4 t -70.6 -48.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.719 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -57.67 -46.47 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.714 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.672 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -68.16 -52.09 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.768 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.8 m-70 -82.78 -17.23 44.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -49.67 -27.47 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.08 -98.23 1.34 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt 54.06 169.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 97.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.49 -141.57 7.4 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -82.16 120.31 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -97.15 45.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -133.48 -24.35 1.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.22 169.6 18.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.497 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.644 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -98.96 122.89 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.368 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.644 ' N ' HD13 ' B' ' 28' ' ' LEU . 47.5 t -77.49 141.33 39.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.806 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -57.6 -44.36 85.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.595 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -83.5 -24.02 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.706 HD22 HG21 ' B' ' 69' ' ' VAL . 49.7 tp -57.8 -43.7 85.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.4 ptmm? -46.9 -41.51 16.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.5 mt-10 -74.03 -46.73 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.639 HD13 ' CG ' ' B' ' 18' ' ' HIS . 26.5 tp -55.48 -45.06 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.709 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.18 -64.09 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.3 pt20 -64.83 -46.71 80.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 19.9 m -40.07 -53.83 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.796 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -76.65 -45.92 27.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.39 25.55 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.793 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.589 ' N ' ' O ' ' B' ' 38' ' ' GLN . 10.5 t -63.92 -16.05 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.88 -33.4 8.33 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.94 -41.63 67.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.81 -32.15 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -51.31 -25.63 6.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.1 118.24 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -142.75 138.95 30.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' B' ' 49' ' ' LYS . 8.8 mptt -93.17 -13.75 28.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.54 ' O ' HG23 ' B' ' 54' ' ' VAL . 38.8 t0 -140.42 118.48 11.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 52.2 t -96.05 -28.47 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -50.56 -44.59 56.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.76 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.66 -39.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.687 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 50' ' ' ASP . 45.2 t -61.46 -49.4 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.519 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.79 -29.97 69.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.553 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -59.87 -34.79 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -81.28 -34.68 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.55 -49.11 77.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -25.94 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.576 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -57.42 -41.57 80.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' B' ' 64' ' ' ASN . 33.3 mt -75.24 -29.06 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -56.68 -38.66 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -52.67 -74.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' B' ' 61' ' ' LEU . 82.8 m-20 -90.49 172.31 8.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -32.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' B' ' 66' ' ' ASP . 56.2 p30 -80.45 0.45 33.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -91.89 178.13 40.52 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 2.5 pm0 -143.41 151.69 40.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.706 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -109.4 155.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.535 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -94.59 172.96 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.32 -48.9 77.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.665 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.44 -42.7 78.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.507 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.98 -39.0 77.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -65.29 -29.28 70.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.476 HG12 HG12 ' A' ' 75' ' ' VAL . 43.0 t -75.46 -25.65 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 76' ' ' VAL . 53.6 t -75.97 -39.39 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.14 -56.09 13.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.8 m -45.4 -42.8 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.752 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -68.52 -37.06 79.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.709 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -46.28 84.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.6 mp -75.11 -35.9 61.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.402 HG22 ' ND2' ' B' ' 86' ' ' ASN . 93.2 m -56.11 -43.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.55 -46.66 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.63 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 60.0 m -70.62 -37.46 73.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' B' ' 82' ' ' THR . 82.9 m-20 -85.22 123.03 30.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.94 0.84 55.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -62.55 -47.16 85.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -82.01 -173.3 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.515 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 46.75 89.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -76.89 -0.39 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.58 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -110.8 146.12 36.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.779 0.323 . . . . 0.0 110.571 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.29 -27.99 69.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' OH ' ' B' ' 74' ' ' TYR . 8.0 tt -52.81 -39.61 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.486 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.684 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.7 m -71.87 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.776 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.91 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.26 -32.42 66.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.22 -33.05 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.609 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.6 m -65.78 -42.96 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.657 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.12 -36.34 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.75 -42.82 97.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.701 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -74.05 -50.58 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.697 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.55 -46.61 86.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.708 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.53 -31.54 66.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.775 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.44 73.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' A' ' 36' ' ' LEU . 91.8 m-70 -90.32 5.53 46.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -62.79 -25.71 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.604 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.18 148.31 17.42 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.79 -59.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.609 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -149.0 -40.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.56 -122.11 2.46 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.93 149.58 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.33 -25.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -76.77 -8.43 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.64 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.31 -178.1 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.719 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 33.0 t -81.4 147.71 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.686 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -64.12 -41.82 97.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.629 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.34 -38.72 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.79 -20.98 28.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HG21 ' A' ' 69' ' ' VAL . 42.1 tp -64.64 -42.99 95.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.36 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.647 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 87.1 mt-10 -72.12 -49.01 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 18' ' ' HIS . 29.2 tp -54.38 -42.46 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.792 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.41 -65.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.908 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.8 pt20 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.88 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 23.0 m -42.89 -40.92 3.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.74 -42.63 13.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.52 22.0 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 38' ' ' GLN . 50.2 m -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.598 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.41 -40.38 23.61 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.14 -43.8 97.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.43 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' NE2' ' A' ' 48' ' ' GLN . 17.1 mt -58.68 -27.7 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.48 -33.24 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.517 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.67 114.45 7.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.48 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' NE2' HD23 ' A' ' 45' ' ' LEU . 64.2 mt-30 -126.17 121.58 33.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.17 -30.85 71.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.689 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.16 85.53 1.92 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.97 -32.32 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.57 -40.1 51.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.66 74.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.4 t -85.19 -27.07 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.43 -46.16 83.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -55.25 -30.69 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.717 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.75 -42.57 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -59.99 -43.67 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -23.1 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.655 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.89 -47.55 82.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.583 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.8 mt -67.37 -35.9 80.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.527 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.24 -35.56 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.82 -88.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.36 35.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.686 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.85 -48.15 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -62.38 -35.23 78.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' A' ' 68' ' ' GLU . . . -55.42 177.4 0.51 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.8 OUTLIER -143.12 -179.67 6.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.486 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG21 HD22 ' A' ' 33' ' ' LEU . 1.6 m -136.91 166.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -97.57 173.07 7.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.798 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -60.28 -45.63 92.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 76' ' ' VAL . 77.3 mt-30 -55.57 -48.1 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -44.15 -47.22 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.403 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' OH ' ' CD1' ' B' ' 4' ' ' LEU . 40.3 t80 -57.34 -37.06 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.277 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG11 ' HB2' ' B' ' 79' ' ' ALA . 52.6 t -81.29 -25.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.721 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' B' ' 76' ' ' VAL . 72.2 t -76.2 -37.16 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.7 -55.12 9.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.067 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 79' ' ' ALA . 27.0 m -45.29 -41.56 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 110.664 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -64.5 -47.56 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.0 -54.11 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.66 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.6 mp -62.79 -35.38 79.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.4 m -60.74 -41.1 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.38 -44.34 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.573 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.612 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.6 m -69.23 -35.85 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.629 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.486 ' O ' ' OD1' ' A' ' 87' ' ' ASN . 6.1 t-20 -62.56 168.27 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 86' ' ' ASN . 92.2 m-20 -141.57 52.72 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.49 -30.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.519 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -73.45 -21.23 60.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.533 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -95.02 151.13 19.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -139.43 146.96 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.518 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -54.07 -36.87 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.562 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -110.91 146.02 37.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -63.24 -28.04 69.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.511 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 8.0 tt -52.7 -39.65 62.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.85 -36.11 80.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.0 m -71.91 -31.08 66.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.776 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.18 -48.05 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.752 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.21 -32.37 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -62.26 -33.01 73.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -65.78 -43.05 89.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.99 -41.76 98.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.22 -36.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -63.69 -42.92 97.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.701 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.01 -50.53 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.69 -46.56 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.59 -31.53 66.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.48 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.598 ' CD2' HD13 ' B' ' 36' ' ' LEU . 91.8 m-70 -90.27 5.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.734 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -62.61 -25.78 68.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.15 148.39 17.63 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -150.81 -59.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 0.0 110.517 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -149.0 -40.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.55 -122.07 2.45 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -57.94 149.48 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.583 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -142.28 -25.09 0.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.464 ' O ' ' CG ' ' B' ' 26' ' ' TYR . 64.8 t80 -76.9 -8.27 57.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -164.36 -178.13 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.488 HD13 ' N ' ' B' ' 29' ' ' SER . 0.2 OUTLIER -108.04 116.35 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.204 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.488 ' N ' HD13 ' B' ' 28' ' ' LEU . 33.1 t -81.41 147.75 29.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.733 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.14 -41.91 97.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -53.26 -38.84 63.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -85.73 -20.97 28.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 69' ' ' VAL . 41.9 tp -64.58 -43.01 95.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 8.6 ptmm? -46.68 -44.42 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.622 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.498 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 87.0 mt-10 -72.03 -49.05 39.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' B' ' 18' ' ' HIS . 29.2 tp -54.36 -42.46 70.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.4 -65.46 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' B' ' 42' ' ' SER . 14.8 pt20 -61.71 -45.33 94.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.878 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' B' ' 35' ' ' GLU . 23.2 m -42.91 -40.88 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.73 -42.68 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.747 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.53 22.05 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.784 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.585 ' N ' ' O ' ' B' ' 38' ' ' GLN . 50.2 m -57.56 -37.88 73.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.513 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.3 -40.48 23.78 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.13 -43.75 97.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.469 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.462 HD23 ' NE2' ' B' ' 48' ' ' GLN . 17.0 mt -58.63 -27.75 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.677 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -46.5 -33.18 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.71 114.47 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' NE2' HD23 ' B' ' 45' ' ' LEU . 64.2 mt-30 -126.28 121.56 32.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -63.18 -30.83 71.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.642 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -142.19 85.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.02 -32.33 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -50.53 -40.12 50.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.51 73.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.668 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -85.25 -27.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.48 -46.18 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -55.37 -30.64 60.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.587 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.7 t -81.7 -42.59 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 mmt -60.0 -43.76 94.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.703 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.1 59.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.99 -47.43 83.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -67.51 -35.87 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -59.18 -35.5 73.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.78 -88.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -69.81 158.39 35.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.92 -48.2 0.04 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.34 -35.24 78.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.436 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -55.37 177.35 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 0.8 OUTLIER -143.09 -179.77 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.541 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 33' ' ' LEU . 1.6 m -136.85 166.6 25.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -97.59 173.03 7.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -60.19 -45.63 92.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.482 ' O ' HG23 ' B' ' 76' ' ' VAL . 77.1 mt-30 -55.63 -48.01 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -44.33 -47.06 9.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.401 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 4' ' ' LEU . 40.3 t80 -57.45 -37.0 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.256 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 79' ' ' ALA . 52.3 t -81.33 -25.7 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.784 HG22 HG22 ' A' ' 76' ' ' VAL . 74.1 t -76.18 -37.03 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.878 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.81 -55.09 9.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.002 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.0 m -45.32 -41.5 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.658 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -64.58 -47.45 78.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.02 -54.11 40.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.525 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.5 mp -62.8 -35.34 79.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.649 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 96.1 m -60.79 -41.01 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.58 -44.18 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.43 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.654 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 97.3 m -69.22 -35.83 76.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.691 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 6.1 t-20 -62.65 168.3 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' B' ' 86' ' ' ASN . 91.6 m-20 -141.48 52.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.48 -30.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -73.53 -21.18 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -139.44 146.98 40.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.1 -36.84 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.543 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -143.93 9.25 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.33 -28.62 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.23 -45.44 44.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -61.14 -39.36 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -65.95 -34.72 78.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.46 81.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mmm -60.73 -37.85 83.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.5 -35.4 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.5 m -67.04 -44.84 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.1 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.2 -31.48 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.693 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.62 -46.75 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.58 -42.06 94.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.598 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -70.27 -52.04 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.79 -22.26 34.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.612 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.63 58.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' CD2' HD13 ' A' ' 36' ' ' LEU . 74.9 m-70 -94.69 4.95 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.682 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.54 109.19 0.25 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.26 -16.27 27.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -169.28 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.09 -116.98 0.03 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -49.5 159.77 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -128.86 13.28 6.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.602 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.436 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 29.8 p90 -174.46 35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.41 147.88 40.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -133.62 105.85 7.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' N ' HD13 ' A' ' 28' ' ' LEU . 42.7 m -69.69 149.65 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.704 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ3' ' C ' ' A' ' 67' ' ' GLY . 43.4 mttp -60.48 -49.71 76.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.61 -43.52 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.03 -28.66 62.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 69' ' ' VAL . 11.2 tp -62.78 -35.11 78.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.54 -64.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.2 mt-10 -55.99 -45.02 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.9 tp -57.29 -38.43 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.557 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.55 -60.3 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.42 63.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 53.9 m -40.02 -34.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.9 -49.39 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.681 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -82.73 27.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 38' ' ' GLN . 32.5 t -58.95 -35.98 74.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.623 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.39 -45.38 30.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.87 -35.95 75.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.421 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.61 -34.7 76.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.588 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.33 -23.25 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.53 109.64 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.609 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.4 104.47 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.572 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -62.04 -22.84 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' HB2' ' A' ' 53' ' ' ALA . 22.9 t70 -137.05 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.81 -28.25 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.07 -38.93 54.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . . . -67.31 -38.89 85.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.572 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.85 -37.75 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.2 -41.05 68.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -55.75 -38.15 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.0 -34.11 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.714 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' O ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -71.67 -22.82 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.581 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.76 -43.13 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 mt -76.06 -28.23 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.496 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.42 -38.39 74.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -69.2 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.35 144.23 51.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.96 -46.16 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.0 -16.44 64.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.519 ' C ' ' HZ3' ' A' ' 30' ' ' LYS . . . -72.51 176.93 41.3 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.414 ' N ' ' NZ ' ' A' ' 30' ' ' LYS . 9.0 pt-20 -149.97 147.33 27.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.649 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 33' ' ' LEU . 2.2 m -114.79 156.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.424 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -96.83 175.82 6.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -59.23 -49.43 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.462 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.43 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.61 -36.93 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 74' ' ' TYR . 10.5 t80 -65.76 -29.79 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' B' ' 79' ' ' ALA . 45.9 t -74.12 -25.58 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.661 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' B' ' 76' ' ' VAL . 60.0 t -74.0 -43.53 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 33' ' ' LEU . 54.3 mt -61.51 -58.15 9.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.1 m -45.44 -36.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.97 -36.57 83.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.85 -52.77 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -61.55 -35.76 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -56.65 -41.68 77.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.669 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 79' ' ' ALA . 57.3 t -64.94 -43.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.577 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.01 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.2 t -71.0 -53.04 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.65 127.01 31.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.71 -2.08 57.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.83 -44.09 94.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.4 141.61 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.61 133.91 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -56.02 -26.06 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.605 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -143.95 9.27 1.5 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.744 0.307 . . . . 0.0 110.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.42 -28.6 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.2 -45.48 44.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -61.03 -39.42 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.7 m -66.04 -34.69 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.5 81.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.0 mmm -60.68 -37.88 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.51 -35.38 67.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.68 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -67.14 -44.81 78.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.778 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.03 -37.94 89.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.21 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.61 -46.77 68.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.769 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.53 -41.98 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.33 -52.13 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -56.81 -22.15 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.654 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.7 57.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.752 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' B' ' 36' ' ' LEU . 75.1 m-70 -94.65 4.94 53.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -59.28 -32.39 69.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.596 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.55 109.08 0.25 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -91.22 -16.23 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.681 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -169.27 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.654 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.11 -116.96 0.03 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -49.54 159.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -128.79 13.19 6.35 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.599 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 29.9 p90 -174.41 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.45 148.04 40.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -133.75 105.8 7.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.312 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 28' ' ' LEU . 42.9 m -69.63 149.66 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.647 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' C ' ' B' ' 67' ' ' GLY . 43.3 mttp -60.41 -49.67 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.639 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -50.64 -43.5 57.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -73.01 -28.71 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.474 HD22 HG21 ' B' ' 69' ' ' VAL . 11.2 tp -62.75 -35.16 78.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.645 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -53.47 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.56 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.2 mt-10 -55.83 -45.08 78.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' B' ' 18' ' ' HIS . 36.9 tp -57.18 -38.58 73.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.44 -60.31 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.5 mt-30 -67.63 -49.35 63.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 54.0 m -40.05 -34.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -93.97 -49.36 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.594 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -82.74 27.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.664 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.425 ' N ' ' O ' ' B' ' 38' ' ' GLN . 32.4 t -58.88 -36.07 74.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.4 30.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.85 -35.92 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.56 -34.71 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.598 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -58.51 -23.09 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.62 109.52 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -145.32 104.46 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.565 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -62.03 -22.81 66.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' B' ' 53' ' ' ALA . 22.9 t70 -137.14 75.65 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.439 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -28.24 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.679 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -51.12 -38.88 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.656 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' B' ' 50' ' ' ASP . . . -67.39 -38.88 85.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.546 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.81 -37.78 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -54.16 -41.08 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -55.74 -38.21 69.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 38.5 t -77.94 -34.16 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.4 mmt -65.64 -48.65 71.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.447 ' O ' ' OE2' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -71.7 -22.77 61.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.584 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.79 -43.18 99.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.584 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.05 -28.13 57.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.636 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.53 -38.3 74.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 59' ' ' LYS . 0.5 OUTLIER -69.14 -82.73 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -60.4 144.33 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.02 -46.15 0.04 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.99 -16.4 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.54 ' C ' ' HZ3' ' B' ' 30' ' ' LYS . . . -72.61 176.94 41.62 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.415 ' N ' ' NZ ' ' B' ' 30' ' ' LYS . 9.0 pt-20 -149.92 147.33 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.474 HG21 HD22 ' B' ' 33' ' ' LEU . 2.2 m -114.84 156.48 15.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.468 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.89 175.87 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.69 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.3 -49.33 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.524 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -53.71 -39.54 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.49 -36.99 84.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.685 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 74' ' ' TYR . 10.5 t80 -65.69 -29.86 70.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.414 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.0 t -74.14 -25.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.612 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 HG22 ' A' ' 76' ' ' VAL . 60.0 t -73.91 -43.54 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.717 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.409 ' CD1' HD21 ' B' ' 33' ' ' LEU . 54.2 mt -61.55 -58.21 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.4 m -45.39 -36.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.631 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.87 -36.61 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.673 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.9 -52.74 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.695 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.555 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.8 mp -61.55 -35.71 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.636 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.6 m -56.69 -41.68 77.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.651 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' ALA . 58.3 t -64.98 -43.18 96.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.03 74.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.88 -53.21 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -76.53 126.95 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -91.73 -1.97 57.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -64.33 -40.89 96.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -63.97 -44.0 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -68.41 141.76 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -159.67 133.93 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.476 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -56.01 -26.14 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.546 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.599 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.448 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -79.16 18.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.524 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -55.81 -33.83 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.576 HD11 ' OH ' ' B' ' 74' ' ' TYR . 0.9 OUTLIER -49.2 -50.85 36.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.33 -39.27 86.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.5 m -51.78 -38.42 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.624 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.58 -45.94 70.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -61.05 -34.19 74.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.738 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.99 -33.9 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.723 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.4 m -77.77 -44.66 26.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 mt -55.37 -43.69 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.02 -36.68 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.06 -43.42 98.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.655 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 64.6 t -65.08 -44.99 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.766 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -58.93 -52.92 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.646 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -62.69 -16.55 57.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.604 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -74.37 -49.06 24.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.543 ' CG ' HD13 ' A' ' 36' ' ' LEU . 83.9 m-70 -89.91 -13.01 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 t -56.48 -36.66 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.558 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.21 -139.29 10.63 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt 58.45 -164.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.741 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.59 153.48 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.39 -172.97 40.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.18 113.89 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.582 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -78.11 -14.51 59.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.469 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -63.22 -36.82 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.41 170.66 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 29' ' ' SER . 2.0 tt -93.23 112.95 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.37 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 28' ' ' LEU . 60.1 p -73.35 158.07 35.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.46 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.76 -50.6 71.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.41 -33.84 76.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD22 HG21 ' A' ' 69' ' ' VAL . 58.4 tp -54.29 -36.42 63.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.421 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -56.78 -40.58 76.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' OG1' ' A' ' 39' ' ' THR . 86.3 mt-10 -78.33 -48.13 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 18' ' ' HIS . 24.2 tp -49.1 -47.78 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -48.5 -65.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 42' ' ' SER . 5.3 mt-30 -62.99 -42.97 99.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 89.9 m -39.95 -45.58 1.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.729 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 78.6 mm-40 -92.58 -43.86 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.62 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.29 21.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' GLN . 41.1 t -64.03 -20.13 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.634 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.63 -51.7 5.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.94 -38.59 76.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.712 0.292 . . . . 0.0 110.785 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.46 -31.14 33.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -52.79 -34.05 51.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.545 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.16 122.18 16.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.21 172.39 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.93 -40.74 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 84.5 m-20 -92.84 56.65 2.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.81 -26.07 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.571 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 27.1 p-10 -59.27 -42.43 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -75.4 -32.81 60.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.19 -47.69 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.31 -30.19 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.62 -34.56 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.665 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.608 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.71 -44.26 94.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.667 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -23.66 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.46 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.686 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.88 -30.9 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.579 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -56.72 -36.82 70.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.692 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -64.88 -69.1 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.683 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.59 137.16 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.34 -41.1 0.22 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -54.34 -32.03 55.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.783 0.325 . . . . 0.0 110.461 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.33 179.36 3.51 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.94 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.621 HG21 HD22 ' A' ' 33' ' ' LEU . 6.4 m -128.58 158.98 40.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.461 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.15 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.442 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -63.6 -46.39 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 pt20 -58.01 -43.06 86.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.743 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.74 -39.76 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.666 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 20.9 t80 -67.05 -23.96 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' B' ' 75' ' ' VAL . 48.8 t -79.93 -25.36 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.867 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' B' ' 76' ' ' VAL . 35.5 t -74.74 -48.7 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HD21 ' A' ' 33' ' ' LEU . 26.4 mt -58.55 -56.49 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.107 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -45.17 -25.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.591 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -85.3 -33.89 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.681 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -65.35 -44.71 86.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -72.44 -41.41 66.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.718 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 86' ' ' ASN . 91.4 m -58.32 -43.64 88.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.739 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 79' ' ' ALA . 85.2 t -68.79 -44.46 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.79 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.72 -40.97 32.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.735 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 82' ' ' THR . 89.1 m-20 -68.91 121.78 17.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.11 -8.94 24.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.94 -47.51 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.42 -40.17 77.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.454 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 76.0 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.36 14.17 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.604 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' SER . 25.6 t30 50.97 34.48 10.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 92' ' ' ASN . 35.9 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.714 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.46 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -79.31 18.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.72 -33.91 64.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.663 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.574 HD11 ' OH ' ' A' ' 74' ' ' TYR . 0.9 OUTLIER -49.18 -50.92 35.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -60.21 -39.33 86.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.747 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.6 m -51.83 -38.36 55.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -46.08 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.3 mmm -60.93 -34.21 74.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -64.06 -33.86 76.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.699 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.1 m -77.89 -44.59 26.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -43.64 75.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.69 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.94 -36.77 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.722 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -63.1 -43.29 98.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.72 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 65.0 t -65.1 -45.07 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.661 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -58.95 -52.85 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.655 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -62.72 -16.52 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.596 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -74.31 -49.14 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.78 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.544 ' CG ' HD13 ' B' ' 36' ' ' LEU . 83.9 m-70 -89.8 -13.11 37.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -56.5 -36.67 69.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.16 -139.33 10.66 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.37 -164.04 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.758 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.63 153.61 0.78 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.559 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -172.96 40.17 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.14 113.82 11.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.739 0.305 . . . . 0.0 110.58 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -78.01 -14.61 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -63.18 -36.79 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.46 170.54 18.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.473 HD23 ' N ' ' B' ' 29' ' ' SER . 2.0 tt -93.16 112.98 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.45 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.473 ' N ' HD23 ' B' ' 28' ' ' LEU . 60.0 p -73.37 158.05 35.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.39 -36.6 79.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.656 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.74 -50.56 71.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -67.56 -33.8 75.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.605 HD22 HG21 ' B' ' 69' ' ' VAL . 58.6 tp -54.31 -36.33 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.463 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -56.85 -40.68 76.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 39' ' ' THR . 86.2 mt-10 -78.15 -48.29 16.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' B' ' 18' ' ' HIS . 23.8 tp -49.09 -47.69 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' B' ' 41' ' ' LEU . 2.6 tp -48.5 -65.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 42' ' ' SER . 5.3 mt-30 -62.88 -42.97 99.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 90.0 m -40.13 -45.47 2.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.742 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.448 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 78.6 mm-40 -92.48 -43.94 8.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.675 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' B' ' 37' ' ' LEU . 49.1 mt -81.38 21.85 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.61 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' GLN . 41.0 t -64.11 -20.05 65.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.66 -51.67 5.07 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -57.95 -38.66 76.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.42 -31.08 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.661 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.82 -34.0 51.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.19 122.1 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -147.19 172.46 13.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.617 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -136.99 -40.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 84.7 m-20 -92.93 56.55 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -26.09 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 27.1 p-10 -59.28 -42.45 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.502 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -75.39 -32.91 60.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.14 -47.66 91.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -69.33 -30.15 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -56.66 -34.49 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.696 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.1 t -83.01 -37.13 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 25.6 mmt -63.77 -44.28 93.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -23.61 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.69 -48.42 74.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -69.96 -30.82 68.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.73 -36.83 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.705 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -64.91 -69.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.686 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -98.63 137.12 37.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.36 -41.08 0.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -54.28 -31.99 55.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.798 0.332 . . . . 0.0 110.523 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.45 179.41 3.63 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -143.52 168.96 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 0.0 110.53 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG21 HD22 ' B' ' 33' ' ' LEU . 6.4 m -128.63 158.92 40.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.06 -177.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -63.57 -46.41 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.5 pt20 -57.93 -43.24 86.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.68 -39.73 81.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.73 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.576 ' OH ' HD11 ' A' ' 4' ' ' LEU . 21.0 t80 -67.04 -23.97 65.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.464 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG12 HG12 ' A' ' 75' ' ' VAL . 49.0 t -79.87 -25.48 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.545 HG22 HG22 ' A' ' 76' ' ' VAL . 35.6 t -74.68 -48.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.494 HD12 HD21 ' B' ' 33' ' ' LEU . 26.4 mt -58.53 -56.48 21.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.123 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.8 m -45.31 -25.3 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.671 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.584 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -85.34 -33.82 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -65.48 -44.72 86.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.604 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.6 mm? -72.4 -41.42 66.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.464 HG22 ' ND2' ' B' ' 86' ' ' ASN . 91.4 m -58.39 -43.58 88.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 79' ' ' ALA . 84.4 t -68.79 -44.46 82.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.85 63.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 m -78.66 -41.03 32.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' B' ' 82' ' ' THR . 89.0 m-20 -68.87 121.64 16.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.682 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -99.01 -8.86 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -62.95 -47.53 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -57.32 -40.23 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.599 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 76.1 m95 -63.45 -26.43 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 57.33 14.22 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' B' ' 93' ' ' SER . 25.6 t30 50.86 34.53 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.625 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 92' ' ' ASN . 35.7 t . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.719 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -61.0 -7.39 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.592 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.97 -35.05 70.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.664 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -53.51 -45.98 69.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.349 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.2 -38.99 88.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.8 m -63.1 -35.03 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.54 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.794 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.75 -45.83 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.86 -29.9 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.635 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.575 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 35.6 m -76.07 -39.61 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.77 -24.14 59.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.45 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.104 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' OD1' ' N ' ' A' ' 14' ' ' VAL . 4.2 p30 -78.44 -40.01 37.0 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.652 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 55.8 t -68.24 -46.35 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -58.83 -45.66 89.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -70.05 -33.4 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.36 97.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -87.98 -8.53 55.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.7 t -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.752 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 -144.94 17.83 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 22' ' ' GLU . 7.4 mtmp? 61.44 51.07 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.741 0.305 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' O ' ' O ' ' A' ' 21' ' ' LYS . 74.8 tt0 56.55 151.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.56 66.95 0.94 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.42 86.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.582 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -81.85 41.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.476 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -136.45 -39.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.694 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.89 -179.53 8.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.44 142.87 39.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.163 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 32' ' ' GLN . 34.4 t -107.64 135.76 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.326 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' SER . 59.0 mttm -38.67 -29.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' SER . 34.5 tptt -69.86 -39.81 76.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 29' ' ' SER . 99.1 mm-40 -84.68 -31.92 23.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.733 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -54.79 -61.42 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 13.9 pttp -39.04 -44.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 85.5 tt0 -69.39 -47.22 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.88 -45.69 78.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.15 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 18.5 pt20 -59.64 -38.67 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.6 m -48.94 -52.45 24.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.741 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -77.68 -44.85 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.931 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.5 mt -74.79 -0.51 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.63 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 69.7 m -41.6 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -84.53 -42.79 7.19 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LEU . 3.0 m-30 -65.43 -53.49 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.535 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.7 mp -48.46 -23.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.65 -34.18 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.488 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 115.39 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.18 147.64 49.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.465 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 87' ' ' ASN . 8.0 ttpm? -94.0 -23.57 17.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' OD2' ' CZ2' ' A' ' 90' ' ' TRP . 87.6 m-20 -132.21 93.78 3.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.704 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.52 -20.78 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -53.77 -43.68 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.626 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.02 -36.15 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.46 -48.72 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.56 -33.05 74.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.3 -34.71 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.89 -40.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 mmt -64.77 -46.05 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.696 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -27.42 68.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.582 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.56 -41.98 95.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.77 -32.17 57.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.86 -40.92 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.67 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -100.22 106.7 18.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.57 -22.2 14.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.23 -28.34 69.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.606 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.73 -177.24 31.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 1.5 pm0 -142.13 -175.78 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.03 161.13 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -94.65 -177.9 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -66.68 -49.38 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.637 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 pt20 -55.26 -41.25 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -53.26 -43.59 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' OH ' HD11 ' B' ' 4' ' ' LEU . 30.8 t80 -59.07 -34.4 71.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' B' ' 79' ' ' ALA . 47.7 t -73.19 -25.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.783 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 76' ' ' VAL . 47.4 t -74.55 -44.26 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.72 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.92 -57.9 10.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.7 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -47.16 -37.81 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.641 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.749 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -65.62 -32.88 74.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.87 -48.61 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.9 mm? -62.44 -37.09 84.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -57.82 -38.91 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 79' ' ' ALA . 98.5 t -66.02 -43.69 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.24 92.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 30.0 t -69.13 -46.59 67.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.81 177.42 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 27.2 m-80 -147.01 -9.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.583 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.88 -40.63 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -55.15 -36.6 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.453 ' CZ2' ' OD2' ' A' ' 50' ' ' ASP . 64.7 m95 -69.1 116.53 9.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.15 150.0 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.554 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 93' ' ' SER . 63.2 t-20 -57.87 -37.7 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 92' ' ' ASN . 41.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.751 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -60.95 -7.44 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.549 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.9 -35.16 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.584 ' O ' HD23 ' B' ' 4' ' ' LEU . 0.8 OUTLIER -53.4 -46.03 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.384 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.24 -38.98 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 50.6 m -63.02 -35.07 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.665 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.73 -45.55 93.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -62.76 -45.79 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -52.92 -29.9 31.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.579 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 35.1 m -76.04 -39.59 55.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.82 -24.12 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.0 mt -76.99 -24.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.11 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.587 ' OD1' ' N ' ' B' ' 14' ' ' VAL . 4.2 p30 -78.42 -39.94 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.707 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.587 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 56.1 t -68.24 -46.39 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.52 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -58.81 -45.74 89.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -70.09 -33.36 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.639 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -87.99 -8.47 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.668 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -62.97 -42.99 99.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.47 -144.94 17.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 7.4 mtmp? 61.47 51.09 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.486 ' O ' ' O ' ' B' ' 21' ' ' LYS . 74.7 tt0 56.58 151.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 66.88 0.94 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 55.41 86.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -81.88 41.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.528 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -136.45 -39.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -154.92 -179.61 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.37 142.83 39.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.157 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.583 ' O ' ' N ' ' B' ' 32' ' ' GLN . 34.3 t -107.61 135.76 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 29' ' ' SER . 58.9 mttm -38.68 -29.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' B' ' 29' ' ' SER . 34.5 tptt -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.491 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.583 ' N ' ' O ' ' B' ' 29' ' ' SER . 99.1 mm-40 -84.65 -31.99 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.493 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -54.83 -61.35 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 13.9 pttp -39.12 -44.57 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.541 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.515 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 85.5 tt0 -69.57 -47.18 64.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.446 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.73 -45.81 77.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.13 -65.28 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' B' ' 42' ' ' SER . 18.5 pt20 -59.68 -38.67 82.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.949 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.6 m -48.94 -52.34 25.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.786 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.406 ' CB ' HD12 ' A' ' 4' ' ' LEU . 78.5 mm-40 -77.75 -44.94 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' B' ' 43' ' ' GLY . 73.1 mt -74.68 -0.55 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.663 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.583 ' N ' ' O ' ' B' ' 38' ' ' GLN . 69.8 m -41.57 -24.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -84.46 -42.87 7.19 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 41' ' ' LEU . 3.0 m-30 -65.41 -53.49 42.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 110.533 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.5 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.7 mp -48.42 -23.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.57 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -48.72 -34.13 11.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.48 115.35 7.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.482 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -135.22 147.7 49.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.432 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' NZ ' ' OD1' ' B' ' 87' ' ' ASN . 8.0 ttpm? -94.05 -23.47 17.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.718 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.446 ' OD2' ' CZ2' ' B' ' 90' ' ' TRP . 87.4 m-20 -132.28 93.84 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.56 -20.78 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -53.74 -43.69 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.07 69.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.6 -48.66 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.59 -33.06 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.33 -34.61 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -81.99 -40.15 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.6 mmt -64.89 -45.9 84.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -27.46 68.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.558 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.51 -41.91 95.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.584 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.89 -32.07 57.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -57.95 -40.97 81.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.6 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -81.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.409 ' N ' HD22 ' B' ' 64' ' ' ASN . 3.2 m120 -100.12 106.73 18.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.6 -22.19 14.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -64.27 -28.38 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.646 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' B' ' 68' ' ' GLU . . . -72.68 -177.27 31.28 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.511 ' CD ' ' N ' ' B' ' 68' ' ' GLU . 1.5 pm0 -142.21 -175.77 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.549 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.02 161.13 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -94.61 -178.0 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.597 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.62 -49.4 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.657 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.6 pt20 -55.3 -41.19 72.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.506 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -53.34 -43.55 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.554 ' OH ' HD11 ' A' ' 4' ' ' LEU . 30.4 t80 -59.1 -34.4 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.749 HG11 ' HB2' ' A' ' 79' ' ' ALA . 47.5 t -73.28 -25.64 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.745 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 76' ' ' VAL . 47.3 t -74.53 -44.3 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.7 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.83 -57.92 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.1 m -47.13 -37.85 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.629 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -65.71 -32.8 74.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.666 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.73 -48.79 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.548 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.9 mm? -62.28 -37.14 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 85.0 m -57.69 -39.06 76.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 79' ' ' ALA . 98.7 t -65.88 -43.73 92.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.733 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.14 91.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 30.5 t -69.21 -46.52 67.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.85 177.37 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 27.4 m-80 -146.93 -9.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.603 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.74 -40.63 88.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -55.07 -36.65 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.446 ' CZ2' ' OD2' ' B' ' 50' ' ' ASP . 64.9 m95 -69.18 116.6 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -98.1 150.0 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 93' ' ' SER . 63.1 t-20 -57.89 -37.59 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 92' ' ' ASN . 41.1 t . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 151.06 43.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 54.6 mp0 -63.6 -27.58 69.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.6 tt -43.12 -51.36 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.04 -41.89 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.628 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -67.42 -33.03 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.04 95.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.697 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mmm -62.62 -36.49 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.65 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.44 -36.44 82.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.572 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.4 m -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.55 -38.53 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -72.3 -27.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.542 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.39 -49.7 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.48 -33.74 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 19' ' ' SER . 77.9 t80 -66.26 -48.74 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.82 -34.2 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.39 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' CG ' HD13 ' A' ' 36' ' ' LEU . 71.5 m-70 -83.03 -17.55 42.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 15' ' ' PHE . 47.1 t -52.52 -26.37 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.43 154.92 26.27 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.57 -57.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.64 -79.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.574 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.07 -33.17 69.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 38.3 p30 -73.7 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.624 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 46.5 tttm 69.98 46.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -161.66 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -143.93 159.0 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 29' ' ' SER . 1.8 tt -104.25 118.93 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' N ' HD23 ' A' ' 28' ' ' LEU . 22.8 t -77.54 156.35 31.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.46 -35.79 81.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.04 -46.75 71.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.46 -36.96 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -51.83 -40.05 59.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.449 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -58.67 -46.79 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.4 mt-10 -77.47 -44.9 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.852 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD13 ' CG ' ' A' ' 18' ' ' HIS . 19.3 tp -51.75 -54.9 23.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 41' ' ' LEU . 9.5 tp -48.0 -65.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.19 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.06 -41.48 98.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 18.5 m -45.22 -56.71 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.05 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.934 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 43' ' ' GLY . 73.9 mt -69.92 16.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.685 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 40' ' ' GLU . 60.2 p -40.83 -19.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -73.92 -69.19 1.43 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.77 -37.74 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' A' ' 48' ' ' GLN . 4.1 mm? -56.86 -30.52 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.266 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.32 57.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -144.45 70.2 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.491 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' A' ' 45' ' ' LEU . 61.7 mt-30 -97.5 166.76 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.615 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.48 -45.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.417 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.81 81.54 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -35.04 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.03 -42.9 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.13 44.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.3 t -58.74 -49.87 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.421 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.66 -34.63 78.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -58.35 -38.53 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 69.6 t -81.02 -42.38 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.6 mmt -63.5 -44.87 93.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -25.22 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.17 -41.51 94.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 64' ' ' ASN . 58.3 mt -72.97 -29.6 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.47 -40.81 98.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.14 81.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 61' ' ' LEU . 73.3 m-80 -96.42 175.9 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.98 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 37.8 p-10 -64.72 -28.5 69.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . -73.91 179.21 41.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.66 176.11 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.42 150.39 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 39.3 t0 -97.4 -177.47 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 81.8 t80 -60.47 -52.44 65.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 pt20 -51.48 -43.87 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.95 -40.34 92.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.536 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -64.44 -26.51 68.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.255 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' B' ' 75' ' ' VAL . 41.2 t -76.65 -25.48 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' B' ' 76' ' ' VAL . 21.3 t -75.66 -43.38 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.9 mt -61.42 -56.16 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m -45.28 -30.33 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.762 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -78.79 -33.31 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -60.67 -44.32 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.792 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.7 mp -72.94 -41.51 64.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.1 m -53.76 -44.11 69.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 79' ' ' ALA . 59.5 t -70.76 -36.93 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.91 86.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 47' ' ' ALA . 15.4 t -75.72 -45.52 36.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.565 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.92 104.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.4 -8.93 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.53 -42.8 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.27 -33.78 76.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.478 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -80.24 116.57 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -94.77 129.2 41.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.589 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.55 -33.21 59.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.551 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -71.95 151.09 43.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 54.6 mp0 -63.61 -27.58 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.6 tt -43.16 -51.42 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.455 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -55.92 -41.95 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.5 m -67.4 -33.01 74.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.09 95.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mmm -62.59 -36.48 82.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.67 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.42 -36.49 82.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 91.3 m -61.8 -42.6 99.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.54 -38.5 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -72.35 -27.07 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.48 -49.65 72.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.53 -33.73 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.697 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 19' ' ' SER . 77.8 t80 -66.23 -48.79 69.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.545 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -58.72 -34.27 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.41 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.401 ' CG ' HD13 ' B' ' 36' ' ' LEU . 71.4 m-70 -83.03 -17.6 42.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.557 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' B' ' 15' ' ' PHE . 47.1 t -52.47 -26.39 12.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.4 154.89 26.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -146.48 -58.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -157.61 -79.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.588 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.13 -33.17 69.26 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.9 p30 -73.72 -116.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.576 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.572 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 46.5 tttm 70.03 46.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.615 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -161.63 -47.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -144.01 158.98 43.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.535 HD23 ' N ' ' B' ' 29' ' ' SER . 1.7 tt -104.19 118.96 37.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.263 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.535 ' N ' HD23 ' B' ' 28' ' ' LEU . 22.8 t -77.63 156.37 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.755 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.54 -35.68 80.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.595 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.03 -46.84 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.495 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -69.4 -36.93 77.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -51.86 -40.05 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.67 -46.71 86.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.465 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.4 mt-10 -77.52 -44.86 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.859 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' B' ' 18' ' ' HIS . 19.3 tp -51.79 -54.9 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' B' ' 41' ' ' LEU . 9.5 tp -48.0 -65.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.21 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.11 -41.44 98.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.126 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 18.4 m -45.31 -56.68 4.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 42' ' ' SER . 76.5 mm-40 -75.65 -49.0 19.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.978 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 43' ' ' GLY . 74.1 mt -69.97 16.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.701 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 40' ' ' GLU . 59.5 p -40.79 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -73.92 -69.26 1.42 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -51.7 -37.81 52.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.766 0.317 . . . . 0.0 110.659 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.62 HD13 ' NE2' ' B' ' 48' ' ' GLN . 4.1 mm? -56.82 -30.52 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.341 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.76 -4.34 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' B' ' 85' ' ' CYS . . . -144.41 70.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.487 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.62 ' NE2' HD13 ' B' ' 45' ' ' LEU . 61.6 mt-30 -97.44 166.71 11.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -137.4 -45.09 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.462 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -102.88 81.47 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.08 -35.03 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -52.01 -42.88 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.58 -44.16 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -58.71 -49.86 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.446 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -65.73 -34.53 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -58.47 -38.46 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 69.4 t -81.05 -42.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.5 mmt -63.51 -44.92 92.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -25.17 64.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -65.23 -41.51 94.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.485 ' O ' ' O ' ' B' ' 64' ' ' ASN . 58.1 mt -72.95 -29.64 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.629 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.43 -40.79 98.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -45.12 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.694 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' B' ' 61' ' ' LEU . 73.2 m-80 -96.42 175.94 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.614 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.96 -37.66 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 37.9 p-10 -64.72 -28.54 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.591 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . -73.8 179.16 41.7 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.721 0.296 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.35 150.43 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 39.3 t0 -97.38 -177.47 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.518 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.499 ' H ' ' CG ' ' B' ' 70' ' ' ASP . 81.7 t80 -60.53 -52.43 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG23 ' B' ' 76' ' ' VAL . 2.0 pt20 -51.45 -43.95 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.91 -40.39 92.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.43 -26.49 68.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.296 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 75' ' ' VAL . 41.3 t -76.59 -25.6 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.933 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 76' ' ' VAL . 21.3 t -75.62 -43.36 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' B' ' 80' ' ' ALA . 70.7 mt -61.38 -56.12 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.932 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 m -45.45 -30.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.71 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.47 ' O ' HG23 ' B' ' 83' ' ' VAL . . . -78.7 -33.47 46.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.757 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -60.54 -44.38 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.535 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.7 mp -72.89 -41.5 64.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.693 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.2 m -53.69 -44.15 69.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 79' ' ' ALA . 59.6 t -70.71 -37.03 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.98 85.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' B' ' 47' ' ' ALA . 15.5 t -75.66 -45.47 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.617 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -65.01 103.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.44 -8.88 59.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -60.54 -42.78 97.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.469 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -66.26 -33.82 76.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -80.25 116.59 20.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -94.83 129.15 41.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -54.5 -33.22 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.515 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.533 179.984 . . . . . . . . 0 0 . 1 stop_ save_